CID 737718

122891-92-3

Structural Information

Molecular Formula
C12H15NO4S
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO4S/c14-12(15)10-6-8-13(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKey
ROBBWMKVNMSDPF-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

269.07217 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 157.7
[M+Na]+ 292.06139 163.2
[M-H]- 268.06489 161.1
[M+NH4]+ 287.10599 171.9
[M+K]+ 308.03533 159.9
[M+H-H2O]+ 252.06943 150.7
[M+HCOO]- 314.07037 169.4
[M+CH3COO]- 328.08602 189.2
[M+Na-2H]- 290.04684 160.0
[M]+ 269.07162 155.7
[M]- 269.07272 155.7
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