CID 350109

Cyanoacetyl guanidine

Structural Information

Molecular Formula
C4H6N4O
SMILES
C(C#N)C(=O)N=C(N)N
InChI
InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7/h1H2,(H4,6,7,8,9)
InChIKey
LTRMOUYRMDEEOR-UHFFFAOYSA-N
Compound name
2-cyano-N-(diaminomethylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

126.05416 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 128.6
[M+Na]+ 149.04338 135.9
[M-H]- 125.04688 129.7
[M+NH4]+ 144.08798 147.3
[M+K]+ 165.01732 136.9
[M+H-H2O]+ 109.05142 116.1
[M+HCOO]- 171.05236 150.7
[M+CH3COO]- 185.06801 191.6
[M+Na-2H]- 147.02883 132.4
[M]+ 126.05361 120.1
[M]- 126.05471 120.1
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