CID 15438

Dtxsid6023862

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
CC(C)(C=NOC(=O)NC)S(=O)(=O)C
InChI
InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)
InChIKey
YRRKLBAKDXSTNC-UHFFFAOYSA-N
Compound name
[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

36
References

14655
Patents

222.06743 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.074706 146.7
[M+Na]+ 245.056648 153.4
[M-H]- 221.060154 148.6
[M+NH4]+ 240.101253 165.5
[M+K]+ 261.030588 153.1
[M+H-H2O]+ 205.064690 141.2
[M+HCOO]- 267.065631 165.7
[M+CH3COO]- 281.081281 190.4
[M+Na-2H]- 243.042096 151.9
[M]+ 222.06688142 151.5
[M]- 222.06797858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe