CID 316741

Cyclopentyl(phenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 140.4
[M+Na]+ 199.109338 145.0
[M-H]- 175.112844 145.1
[M+NH4]+ 194.153943 161.1
[M+K]+ 215.083278 142.3
[M+H-H2O]+ 159.117380 134.3
[M+HCOO]- 221.118321 161.1
[M+CH3COO]- 235.133971 176.9
[M+Na-2H]- 197.094786 143.3
[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

literature stripe

Patent stripe

patents stripe