CID 101549

Vetyvenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CC(C=C(C2C1CC(=C(C)C)C2)C)O
InChI
InChI=1S/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,11,13-16H,6-8H2,1-4H3
InChIKey
INIOTLARNNSXAE-UHFFFAOYSA-N
Compound name
4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

3172
Patents

220.18271 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 149.8
[M+Na]+ 243.171928 154.6
[M-H]- 219.175434 154.0
[M+NH4]+ 238.216533 169.9
[M+K]+ 259.145868 154.5
[M+H-H2O]+ 203.179970 146.3
[M+HCOO]- 265.180911 166.0
[M+CH3COO]- 279.196561 192.5
[M+Na-2H]- 241.157376 148.4
[M]+ 220.18216142 143.7
[M]- 220.18325858 143.7
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