CID 564242

1-benzylcyclopentan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC(C1)(CC2=CC=CC=C2)O
InChI
InChI=1S/C12H16O/c13-12(8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKey
ZNZISHNDYHTHKL-UHFFFAOYSA-N
Compound name
1-benzylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

176.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 141.0
[M+Na]+ 199.10934 152.7
[M+NH4]+ 194.15394 152.2
[M+K]+ 215.08328 145.1
[M-H]- 175.11284 144.9
[M+Na-2H]- 197.09479 150.0
[M]+ 176.11957 143.9
[M]- 176.12067 143.9
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