CID 244

Benzyl alcohol

Structural Information

Molecular Formula
C7H8O
SMILES
C1=CC=C(C=C1)CO
InChI
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
WVDDGKGOMKODPV-UHFFFAOYSA-N
Compound name
phenylmethanol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1913
References

123770
Patents

108.05752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.064796 118.2
[M+Na]+ 131.046738 126.1
[M-H]- 107.050244 120.8
[M+NH4]+ 126.091343 140.5
[M+K]+ 147.020678 124.4
[M+H-H2O]+ 91.054780 113.4
[M+HCOO]- 153.055721 142.3
[M+CH3COO]- 167.071371 164.7
[M+Na-2H]- 129.032186 127.2
[M]+ 108.05697142 117.0
[M]- 108.05806858 117.0
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