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

73
Patents

112.03851 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04579 123.8
[M+Na]+ 135.02773 131.4
[M-H]- 111.03123 125.5
[M+NH4]+ 130.07233 143.2
[M+K]+ 151.00167 132.9
[M+H-H2O]+ 95.035770 111.5
[M+HCOO]- 157.03671 146.7
[M+CH3COO]- 171.05236 190.0
[M+Na-2H]- 133.01318 129.1
[M]+ 112.03796 116.0
[M]- 112.03906 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