CID 16776450

2-{[4-(aminomethyl)phenyl]formamido}acetamide

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1=CC(=CC=C1CN)C(=O)NCC(=O)N
InChI
InChI=1S/C10H13N3O2/c11-5-7-1-3-8(4-2-7)10(15)13-6-9(12)14/h1-4H,5-6,11H2,(H2,12,14)(H,13,15)
InChIKey
LMVHDIFTWGMVEV-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(2-amino-2-oxoethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.10077 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 146.4
[M+Na]+ 230.08999 154.5
[M+NH4]+ 225.13459 152.6
[M+K]+ 246.06393 150.5
[M-H]- 206.09349 148.1
[M+Na-2H]- 228.07544 150.7
[M]+ 207.10022 147.4
[M]- 207.10132 147.4
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