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]+ 182.04816 135.8
[M+Na]+ 204.03010 142.2
[M-H]- 180.03360 134.3
[M+NH4]+ 199.07470 154.6
[M+K]+ 220.00404 140.9
[M+H-H2O]+ 164.03814 131.0
[M+HCOO]- 226.03908 151.0
[M+CH3COO]- 240.05473 177.1
[M+Na-2H]- 202.01555 137.3
[M]+ 181.04033 136.7
[M]- 181.04143 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