CID 25000516

1-(cyclopropylsulfonyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H15NO4S
SMILES
C1CC1S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C9H15NO4S/c11-9(12)7-3-5-10(6-4-7)15(13,14)8-1-2-8/h7-8H,1-6H2,(H,11,12)
InChIKey
LJLAAORUZZVLBJ-UHFFFAOYSA-N
Compound name
1-cyclopropylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

233.07217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.079446 149.6
[M+Na]+ 256.061388 156.6
[M-H]- 232.064894 153.7
[M+NH4]+ 251.105993 160.7
[M+K]+ 272.035328 153.3
[M+H-H2O]+ 216.069430 143.2
[M+HCOO]- 278.070371 161.3
[M+CH3COO]- 292.086021 186.2
[M+Na-2H]- 254.046836 151.0
[M]+ 233.07162142 150.3
[M]- 233.07271858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe