CID 3057428

74038-50-9

Structural Information

Molecular Formula
C4H11N2O3PS2
SMILES
CCOP(=O)(CSSC(=N)N)O
InChI
InChI=1S/C4H11N2O3PS2/c1-2-9-10(7,8)3-11-12-4(5)6/h2-3H2,1H3,(H3,5,6)(H,7,8)
InChIKey
JKLLEDNDRVCGGN-UHFFFAOYSA-N
Compound name
(carbamimidoyldisulfanyl)methyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99487 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00215 142.7
[M+Na]+ 252.98409 147.4
[M-H]- 228.98759 139.2
[M+NH4]+ 248.02869 159.5
[M+K]+ 268.95803 143.9
[M+H-H2O]+ 212.99213 134.0
[M+HCOO]- 274.99307 159.4
[M+CH3COO]- 289.00872 188.0
[M+Na-2H]- 250.96954 141.3
[M]+ 229.99432 143.4
[M]- 229.99542 143.4
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.