CID 39733689

2-amino-n-(2-aminoethyl)benzamide dihydrochloride

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1=CC=C(C(=C1)C(=O)NCCN)N
InChI
InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2,(H,12,13)
InChIKey
CPVBIJDFUDYJIO-UHFFFAOYSA-N
Compound name
2-amino-N-(2-aminoethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

48
Patents

179.10587 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 138.5
[M+Na]+ 202.095088 144.4
[M-H]- 178.098594 141.3
[M+NH4]+ 197.139693 157.1
[M+K]+ 218.069028 142.1
[M+H-H2O]+ 162.103130 131.8
[M+HCOO]- 224.104071 164.3
[M+CH3COO]- 238.119721 187.5
[M+Na-2H]- 200.080536 143.5
[M]+ 179.10532142 134.5
[M]- 179.10641858 134.5
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