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]+ 225.08211 149.5
[M+Na]+ 247.06405 154.5
[M-H]- 223.06755 149.9
[M+NH4]+ 242.10865 168.7
[M+K]+ 263.03799 154.5
[M+H-H2O]+ 207.07209 141.0
[M+HCOO]- 269.07303 173.6
[M+CH3COO]- 283.08868 197.4
[M+Na-2H]- 245.04950 148.9
[M]+ 224.07428 154.4
[M]- 224.07538 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