CID 16205115

39850-93-6

Structural Information

Molecular Formula
C17H26O2
SMILES
CC1CC(C=C2C1(CC(=C(C)C)CC2)C)OC(=O)C
InChI
InChI=1S/C17H26O2/c1-11(2)14-6-7-15-9-16(19-13(4)18)8-12(3)17(15,5)10-14/h9,12,16H,6-8,10H2,1-5H3
InChIKey
OTKMURHLJITZEE-UHFFFAOYSA-N
Compound name
(4,4a-dimethyl-6-propan-2-ylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 162.8
[M+Na]+ 285.182488 168.0
[M-H]- 261.185994 166.4
[M+NH4]+ 280.227093 183.0
[M+K]+ 301.156428 165.4
[M+H-H2O]+ 245.190530 157.5
[M+HCOO]- 307.191471 177.5
[M+CH3COO]- 321.207121 200.1
[M+Na-2H]- 283.167936 162.8
[M]+ 262.19272142 160.1
[M]- 262.19381858 160.1
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.