CID 80426

N-(3-aminophenyl)formamide

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC(=CC(=C1)NC=O)N
InChI
InChI=1S/C7H8N2O/c8-6-2-1-3-7(4-6)9-5-10/h1-5H,8H2,(H,9,10)
InChIKey
DRXLHYPPJRAJSL-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.5
[M+Na]+ 159.052878 132.3
[M-H]- 135.056384 128.2
[M+NH4]+ 154.097483 145.6
[M+K]+ 175.026818 130.3
[M+H-H2O]+ 119.060920 118.7
[M+HCOO]- 181.061861 151.6
[M+CH3COO]- 195.077511 176.6
[M+Na-2H]- 157.038326 132.7
[M]+ 136.06311142 122.3
[M]- 136.06420858 122.3
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