CID 21439

2-aminobenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

46
References

11538
Patents

123.06841 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.6
[M+Na]+ 146.05763 134.8
[M+NH4]+ 141.10223 131.6
[M+K]+ 162.03157 128.8
[M-H]- 122.06113 125.2
[M+Na-2H]- 144.04308 129.9
[M]+ 123.06786 124.9
[M]- 123.06896 124.9
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