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]+ 263.20055 151.3
[M+Na]+ 285.18249 162.2
[M-H]- 261.18599 155.2
[M+NH4]+ 280.22709 155.6
[M+K]+ 301.15643 157.1
[M+H-H2O]+ 245.19053 147.3
[M+HCOO]- 307.19147 157.1
[M+CH3COO]- 321.20712 158.6
[M+Na-2H]- 283.16794 161.4
[M]+ 262.19272 156.3
[M]- 262.19382 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.