CID 7409

1-phenylethanol

Structural Information

Molecular Formula
C8H10O
SMILES
CC(C1=CC=CC=C1)O
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey
WAPNOHKVXSQRPX-UHFFFAOYSA-N
Compound name
1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

262
References

72019
Patents

122.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 123.3
[M+Na]+ 145.06238 130.5
[M-H]- 121.06589 125.8
[M+NH4]+ 140.10699 145.0
[M+K]+ 161.03632 129.0
[M+H-H2O]+ 105.07043 118.4
[M+HCOO]- 167.07137 146.0
[M+CH3COO]- 181.08702 168.5
[M+Na-2H]- 143.04783 130.5
[M]+ 122.07262 121.8
[M]- 122.07371 121.8
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