CID 114887

Phosphorodiamidothioic acid, n,n'-dimethyl-n-formyl-, s-(1-methylpropyl) ester

Structural Information

Molecular Formula
C7H17N2O2PS
SMILES
CCC(C)SP(=O)(NC)N(C)C=O
InChI
InChI=1S/C7H17N2O2PS/c1-5-7(2)13-12(11,8-3)9(4)6-10/h6-7H,5H2,1-4H3,(H,8,11)
InChIKey
SEZWCMLDPHYQQE-UHFFFAOYSA-N
Compound name
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.07483 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.082106 149.5
[M+Na]+ 247.064048 154.5
[M-H]- 223.067554 149.9
[M+NH4]+ 242.108653 168.7
[M+K]+ 263.037988 154.5
[M+H-H2O]+ 207.072090 141.0
[M+HCOO]- 269.073031 173.6
[M+CH3COO]- 283.088681 197.4
[M+Na-2H]- 245.049496 148.9
[M]+ 224.07428142 154.4
[M]- 224.07537858 154.4
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

patents stripe