CID 3085813

3-cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-

Structural Information

Molecular Formula
C13H22O
SMILES
CC(=CCCC1=CCC[C@@H](C1)CO)C
InChI
InChI=1S/C13H22O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,13-14H,3-4,6,8-10H2,1-2H3/t13-/m0/s1
InChIKey
OCWPZKYJUSNHGL-ZDUSSCGKSA-N
Compound name
[(1S)-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 148.5
[M+Na]+ 217.15629 152.8
[M-H]- 193.15979 149.7
[M+NH4]+ 212.20089 167.4
[M+K]+ 233.13023 149.8
[M+H-H2O]+ 177.16433 142.9
[M+HCOO]- 239.16527 166.7
[M+CH3COO]- 253.18092 184.0
[M+Na-2H]- 215.14174 150.1
[M]+ 194.16652 145.5
[M]- 194.16762 145.5
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.