CID 12283988

2-benzylcyclopentan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CC(C(C1)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H16O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2
InChIKey
OWWHRTUEIUFQKM-UHFFFAOYSA-N
Compound name
2-benzylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 139.4
[M+Na]+ 199.109338 145.3
[M-H]- 175.112844 144.3
[M+NH4]+ 194.153943 160.5
[M+K]+ 215.083278 142.1
[M+H-H2O]+ 159.117380 133.4
[M+HCOO]- 221.118321 161.1
[M+CH3COO]- 235.133971 177.2
[M+Na-2H]- 197.094786 142.9
[M]+ 176.11957142 135.6
[M]- 176.12066858 135.6
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

patents stripe