CID 21241989

2-sulfamoylpentanoic acid

Structural Information

Molecular Formula
C5H11NO4S
SMILES
CCCC(C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C5H11NO4S/c1-2-3-4(5(7)8)11(6,9)10/h4H,2-3H2,1H3,(H,7,8)(H2,6,9,10)
InChIKey
WBJIIDOMBNFSDV-UHFFFAOYSA-N
Compound name
2-sulfamoylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.04088 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.048156 135.8
[M+Na]+ 204.030098 142.2
[M-H]- 180.033604 134.3
[M+NH4]+ 199.074703 154.6
[M+K]+ 220.004038 140.9
[M+H-H2O]+ 164.038140 131.0
[M+HCOO]- 226.039081 151.0
[M+CH3COO]- 240.054731 177.1
[M+Na-2H]- 202.015546 137.3
[M]+ 181.04033142 136.7
[M]- 181.04142858 136.7
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

patents stripe