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
9
Annotation Hits

1910
References

443452
Patents

108.05752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 118.8
[M+Na]+ 131.04674 132.2
[M+NH4]+ 126.09134 128.5
[M+K]+ 147.02068 125.4
[M-H]- 107.05024 121.4
[M+Na-2H]- 129.03219 127.2
[M]+ 108.05697 121.4
[M]- 108.05807 121.4
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