CID 16228619

1-(ethanesulfonyl)piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CCS(=O)(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C8H15NO4S/c1-2-14(12,13)9-6-4-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
HXVVJOWQWVXOIT-UHFFFAOYSA-N
Compound name
1-ethylsulfonylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07945 146.2
[M+Na]+ 244.06139 152.0
[M-H]- 220.06489 146.5
[M+NH4]+ 239.10599 162.7
[M+K]+ 260.03533 150.1
[M+H-H2O]+ 204.06943 140.6
[M+HCOO]- 266.07037 157.5
[M+CH3COO]- 280.08602 181.4
[M+Na-2H]- 242.04684 147.6
[M]+ 221.07162 145.3
[M]- 221.07272 145.3
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.