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]+ 222.07945 145.6
[M+Na]+ 244.06139 150.2
[M-H]- 220.06489 146.8
[M+NH4]+ 239.10599 164.6
[M+K]+ 260.03533 148.7
[M+H-H2O]+ 204.06943 141.1
[M+HCOO]- 266.07037 159.0
[M+CH3COO]- 280.08602 182.0
[M+Na-2H]- 242.04684 149.8
[M]+ 221.07162 143.3
[M]- 221.07272 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.