CID 123544

(1-phenylcyclopentyl)methanol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 140.2
[M+Na]+ 199.10934 146.1
[M-H]- 175.11284 145.2
[M+NH4]+ 194.15394 163.0
[M+K]+ 215.08328 143.0
[M+H-H2O]+ 159.11738 134.6
[M+HCOO]- 221.11832 162.0
[M+CH3COO]- 235.13397 175.6
[M+Na-2H]- 197.09479 145.4
[M]+ 176.11957 136.3
[M]- 176.12067 136.3
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