CID 51214

1-methyl-s-(3-methylthiophosphoryl)imidazolium

Structural Information

Molecular Formula
C5H10N2O2PS
SMILES
C[N+]1=CN(C=C1)P(=O)(O)SC
InChI
InChI=1S/C5H9N2O2PS/c1-6-3-4-7(5-6)10(8,9)11-2/h3-5H,1-2H3/p+1
InChIKey
QSLFDILMORXPKP-UHFFFAOYSA-O
Compound name
(3-methylimidazol-3-ium-1-yl)-methylsulfanylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

385
Patents

193.02007 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02735 134.8
[M+Na]+ 216.00929 144.2
[M-H]- 192.01279 134.7
[M+NH4]+ 211.05389 154.0
[M+K]+ 231.98323 137.3
[M+H-H2O]+ 176.01733 129.5
[M+HCOO]- 238.01827 156.4
[M+CH3COO]- 252.03392 170.6
[M+Na-2H]- 213.99474 138.5
[M]+ 193.01952 136.6
[M]- 193.02062 136.6
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.