CID 8347

Vetiveryl acetate

Structural Information

Molecular Formula
C17H26O2
SMILES
CC1CC(C=C(C2C1CC(=C(C)C)C2)C)OC(=O)C
InChI
InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3
InChIKey
UAVFEMBKDRODDE-UHFFFAOYSA-N
Compound name
(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2896
Patents

262.19327 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 160.8
[M+Na]+ 285.18249 168.3
[M+NH4]+ 280.22709 167.8
[M+K]+ 301.15643 166.0
[M-H]- 261.18599 161.6
[M+Na-2H]- 283.16794 162.0
[M]+ 262.19272 161.9
[M]- 262.19382 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe