CID 69331

4-aminobenzyl alcohol

Structural Information

Molecular Formula
C7H9NO
SMILES
C1=CC(=CC=C1CO)N
InChI
InChI=1S/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2
InChIKey
AXKGIPZJYUNAIW-UHFFFAOYSA-N
Compound name
(4-aminophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

10932
Patents

123.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 122.6
[M+Na]+ 146.057628 130.5
[M-H]- 122.061134 124.9
[M+NH4]+ 141.102233 143.9
[M+K]+ 162.031568 128.3
[M+H-H2O]+ 106.065670 117.5
[M+HCOO]- 168.066611 147.0
[M+CH3COO]- 182.082261 169.9
[M+Na-2H]- 144.043076 130.0
[M]+ 123.06786142 119.9
[M]- 123.06895858 119.9
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