CID 86753

P-menth-1-en-9-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1=CCC(CC1)C(C)CO
InChI
InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3
InChIKey
ZTYHGIAOVUPAAH-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

319
Patents

154.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.9
[M+Na]+ 177.124988 141.0
[M-H]- 153.128494 137.6
[M+NH4]+ 172.169593 156.4
[M+K]+ 193.098928 139.5
[M+H-H2O]+ 137.133030 130.8
[M+HCOO]- 199.133971 154.9
[M+CH3COO]- 213.149621 176.4
[M+Na-2H]- 175.110436 139.1
[M]+ 154.13522142 132.6
[M]- 154.13631858 132.6
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