CID 96949

10539-37-4

Structural Information

Molecular Formula
C5H14N3O2PS
SMILES
CCOP(=S)(N=C(N)N)OCC
InChI
InChI=1S/C5H14N3O2PS/c1-3-9-11(12,10-4-2)8-5(6)7/h3-4H2,1-2H3,(H4,6,7,8,12)
InChIKey
QOSLJPRIJQEMPD-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05443 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06171 143.7
[M+Na]+ 234.04365 148.9
[M-H]- 210.04715 143.0
[M+NH4]+ 229.08825 162.5
[M+K]+ 250.01759 148.0
[M+H-H2O]+ 194.05169 134.9
[M+HCOO]- 256.05263 169.0
[M+CH3COO]- 270.06828 193.6
[M+Na-2H]- 232.02910 143.5
[M]+ 211.05388 145.3
[M]- 211.05498 145.3
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.