CID 135429903

N-acryloyl-n'-cyanoguanidine

Structural Information

Molecular Formula
C5H6N4O
SMILES
C=CC(=O)NC(=NC#N)N
InChI
InChI=1S/C5H6N4O/c1-2-4(10)9-5(7)8-3-6/h2H,1H2,(H3,7,8,9,10)
InChIKey
CADVGKZQAHRVJF-UHFFFAOYSA-N
Compound name
N-(N'-cyanocarbamimidoyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

138.05415 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.06143 132.4
[M+Na]+ 161.04337 139.7
[M-H]- 137.04687 133.8
[M+NH4]+ 156.08797 151.0
[M+K]+ 177.01731 140.1
[M+H-H2O]+ 121.05141 119.8
[M+HCOO]- 183.05235 154.9
[M+CH3COO]- 197.06800 193.4
[M+Na-2H]- 159.02882 136.6
[M]+ 138.05360 124.5
[M]- 138.05470 124.5
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