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

5
Patents

138.05415 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.061426 132.4
[M+Na]+ 161.043368 139.7
[M-H]- 137.046874 133.8
[M+NH4]+ 156.087973 151.0
[M+K]+ 177.017308 140.1
[M+H-H2O]+ 121.051410 119.8
[M+HCOO]- 183.052351 154.9
[M+CH3COO]- 197.068001 193.4
[M+Na-2H]- 159.028816 136.6
[M]+ 138.05360142 124.5
[M]- 138.05469858 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