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

9
Patents

233.07217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07945 149.6
[M+Na]+ 256.06139 156.6
[M-H]- 232.06489 153.7
[M+NH4]+ 251.10599 160.7
[M+K]+ 272.03533 153.3
[M+H-H2O]+ 216.06943 143.2
[M+HCOO]- 278.07037 161.3
[M+CH3COO]- 292.08602 186.2
[M+Na-2H]- 254.04684 151.0
[M]+ 233.07162 150.3
[M]- 233.07272 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.