CID 577187

N-(3-formylaminomethyl-benzyl)-formamide

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1=CC(=CC(=C1)CNC=O)CNC=O
InChI
InChI=1S/C10H12N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4,7-8H,5-6H2,(H,11,13)(H,12,14)
InChIKey
ZUUAKXMTKFCWJM-UHFFFAOYSA-N
Compound name
N-[[3-(formamidomethyl)phenyl]methyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

192.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.4
[M+Na]+ 215.07909 146.1
[M-H]- 191.08259 143.0
[M+NH4]+ 210.12369 158.3
[M+K]+ 231.05303 143.6
[M+H-H2O]+ 175.08713 132.7
[M+HCOO]- 237.08807 166.6
[M+CH3COO]- 251.10372 187.6
[M+Na-2H]- 213.06454 147.1
[M]+ 192.08932 140.0
[M]- 192.09042 140.0
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