CID 7446991

1-methanesulfonamidocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CS(=O)(=O)NC1(CCCCC1)C(=O)O
InChI
InChI=1S/C8H15NO4S/c1-14(12,13)9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)
InChIKey
RCNDFOGWOOSJJO-UHFFFAOYSA-N
Compound name
1-(methanesulfonamido)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 145.6
[M+Na]+ 244.061388 150.2
[M-H]- 220.064894 146.8
[M+NH4]+ 239.105993 164.6
[M+K]+ 260.035328 148.7
[M+H-H2O]+ 204.069430 141.1
[M+HCOO]- 266.070371 159.0
[M+CH3COO]- 280.086021 182.0
[M+Na-2H]- 242.046836 149.8
[M]+ 221.07162142 143.3
[M]- 221.07271858 143.3
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.