CID 80293

3-aminobenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3882
Patents

123.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.6
[M+Na]+ 146.05763 130.5
[M-H]- 122.06113 124.9
[M+NH4]+ 141.10223 143.9
[M+K]+ 162.03157 128.3
[M+H-H2O]+ 106.06567 117.5
[M+HCOO]- 168.06661 147.0
[M+CH3COO]- 182.08226 169.9
[M+Na-2H]- 144.04308 130.0
[M]+ 123.06786 119.9
[M]- 123.06896 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