CID 23284095

Colorfix

Structural Information

Molecular Formula
C3H4N4O
SMILES
C(=O)N(C#N)C(=N)N
InChI
InChI=1S/C3H4N4O/c4-1-7(2-8)3(5)6/h2H,(H3,5,6)
InChIKey
RMUPNSINHUOUPL-UHFFFAOYSA-N
Compound name
N-carbamimidoyl-N-cyanoformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

112.03851 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.045786 123.8
[M+Na]+ 135.027728 131.4
[M-H]- 111.031234 125.5
[M+NH4]+ 130.072333 143.2
[M+K]+ 151.001668 132.9
[M+H-H2O]+ 95.035770 111.5
[M+HCOO]- 157.036711 146.7
[M+CH3COO]- 171.052361 190.0
[M+Na-2H]- 133.013176 129.1
[M]+ 112.03796142 116.0
[M]- 112.03905858 116.0
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