CID 16729193

[(1r,4z,9s,11r)-4,11-dimethyl-8-methylene-11-bicyclo[7.2.0]undec-4-enyl]methyl acetate

Structural Information

Molecular Formula
C17H26O2
SMILES
C/C/1=C/CCC(=C)[C@H]2C[C@@]([C@@H]2CC1)(C)COC(=O)C
InChI
InChI=1S/C17H26O2/c1-12-6-5-7-13(2)15-10-17(4,11-19-14(3)18)16(15)9-8-12/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6-/t15-,16-,17+/m1/s1
InChIKey
VKTLOEXWZVKMMV-VHBUNTFRSA-N
Compound name
[(1S,5Z,9R,10R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 151.3
[M+Na]+ 285.182488 162.2
[M-H]- 261.185994 155.2
[M+NH4]+ 280.227093 155.6
[M+K]+ 301.156428 157.1
[M+H-H2O]+ 245.190530 147.3
[M+HCOO]- 307.191471 157.1
[M+CH3COO]- 321.207121 158.6
[M+Na-2H]- 283.167936 161.4
[M]+ 262.19272142 156.3
[M]- 262.19381858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.