CID 51711452

Methyl 3-(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 141.3
[M+Na]+ 230.04575 149.4
[M-H]- 206.04925 145.7
[M+NH4]+ 225.09035 155.4
[M+K]+ 246.01969 146.8
[M+H-H2O]+ 190.05379 135.2
[M+HCOO]- 252.05473 159.6
[M+CH3COO]- 266.07038 186.4
[M+Na-2H]- 228.03120 145.2
[M]+ 207.05598 147.7
[M]- 207.05708 147.7
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.