CID 51711452

Methyl3-(cyclopropylsulfamoyl)propanoate

Structural Information

Molecular Formula
C7H13NO4S
SMILES
COC(=O)CCS(=O)(=O)NC1CC1
InChI
InChI=1S/C7H13NO4S/c1-12-7(9)4-5-13(10,11)8-6-2-3-6/h6,8H,2-5H2,1H3
InChIKey
XOSLEVVJKVBDGT-UHFFFAOYSA-N
Compound name
methyl 3-(cyclopropylsulfamoyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 147.4
[M+Na]+ 230.04575 156.0
[M+NH4]+ 225.09035 154.0
[M+K]+ 246.01969 152.5
[M-H]- 206.04925 153.0
[M+Na-2H]- 228.03120 152.0
[M]+ 207.05598 151.3
[M]- 207.05708 151.3
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.