CID 527143

Menthadienol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(CC1)C(=C)CO
InChI
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3
InChIKey
UIMAEYMKYMNCGW-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

264
Patents

152.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 134.4
[M+Na]+ 175.10934 139.9
[M-H]- 151.11284 136.1
[M+NH4]+ 170.15394 154.9
[M+K]+ 191.08328 137.7
[M+H-H2O]+ 135.11738 129.4
[M+HCOO]- 197.11832 153.6
[M+CH3COO]- 211.13397 175.5
[M+Na-2H]- 173.09479 137.7
[M]+ 152.11957 130.4
[M]- 152.12067 130.4
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.