CID 16227088

1-methanesulfonylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CS(=O)(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C7H13NO4S/c1-13(11,12)8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
FHJBZSSPDCFJEG-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.05653 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 141.8
[M+Na]+ 230.04575 148.0
[M-H]- 206.04925 142.3
[M+NH4]+ 225.09035 158.9
[M+K]+ 246.01969 146.4
[M+H-H2O]+ 190.05379 136.4
[M+HCOO]- 252.05473 153.5
[M+CH3COO]- 266.07038 178.3
[M+Na-2H]- 228.03120 143.7
[M]+ 207.05598 140.5
[M]- 207.05708 140.5
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