CID 5463813

4-amino-2-(aminomethyl)phenol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=CC(=C(C=C1N)CN)O
InChI
InChI=1S/C7H10N2O/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4,8-9H2
InChIKey
PZKNKZNLQYKXFV-UHFFFAOYSA-N
Compound name
4-amino-2-(aminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9652
Patents

138.07932 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 126.8
[M+Na]+ 161.068538 134.8
[M-H]- 137.072044 128.9
[M+NH4]+ 156.113143 147.1
[M+K]+ 177.042478 132.2
[M+H-H2O]+ 121.076580 121.4
[M+HCOO]- 183.077521 151.5
[M+CH3COO]- 197.093171 175.6
[M+Na-2H]- 159.053986 132.5
[M]+ 138.07877142 122.7
[M]- 138.07986858 122.7
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