CID 407654

((amino(imino)methyl)(cyano)amino)methanesulfonic acid

Structural Information

Molecular Formula
C3H6N4O3S
SMILES
C(N(C#N)C(=N)N)S(=O)(=O)O
InChI
InChI=1S/C3H6N4O3S/c4-1-7(3(5)6)2-11(8,9)10/h2H2,(H3,5,6)(H,8,9,10)
InChIKey
NBMMALBZZRLSQZ-UHFFFAOYSA-N
Compound name
[carbamimidoyl(cyano)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.01607 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02335 142.6
[M+Na]+ 201.00529 149.7
[M-H]- 177.00879 143.3
[M+NH4]+ 196.04989 159.2
[M+K]+ 216.97923 150.7
[M+H-H2O]+ 161.01333 130.1
[M+HCOO]- 223.01427 157.8
[M+CH3COO]- 237.02992 194.6
[M+Na-2H]- 198.99074 145.1
[M]+ 178.01552 136.2
[M]- 178.01662 136.2
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

No patent data available for this compound.