CID 135408680

N-acetyl-n'-cyanoguanidine

Structural Information

Molecular Formula
C4H6N4O
SMILES
CC(=O)NC(=NC#N)N
InChI
InChI=1S/C4H6N4O/c1-3(9)8-4(6)7-2-5/h1H3,(H3,6,7,8,9)
InChIKey
DGQUYCPHSDRPJV-UHFFFAOYSA-N
Compound name
N-(N'-cyanocarbamimidoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

126.05416 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 128.4
[M+Na]+ 149.04338 135.9
[M-H]- 125.04688 130.0
[M+NH4]+ 144.08798 147.6
[M+K]+ 165.01732 137.1
[M+H-H2O]+ 109.05142 116.0
[M+HCOO]- 171.05236 151.1
[M+CH3COO]- 185.06801 191.5
[M+Na-2H]- 147.02883 133.2
[M]+ 126.05361 120.9
[M]- 126.05471 120.9
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