CID 19077135

3-amino-5-(aminomethyl)benzamide

Structural Information

Molecular Formula
C8H11N3O
SMILES
C1=C(C=C(C=C1C(=O)N)N)CN
InChI
InChI=1S/C8H11N3O/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,4,9-10H2,(H2,11,12)
InChIKey
QDRRGYKDXABRGR-UHFFFAOYSA-N
Compound name
3-amino-5-(aminomethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.09021 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.6
[M+Na]+ 188.07943 143.9
[M+NH4]+ 183.12403 141.9
[M+K]+ 204.05337 139.6
[M-H]- 164.08293 137.3
[M+Na-2H]- 186.06488 139.7
[M]+ 165.08966 136.2
[M]- 165.09076 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe