CID 85533

1-(2-hydroxyethyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1CN(CCC1C(=O)O)CCO
InChI
InChI=1S/C8H15NO3/c10-6-5-9-3-1-7(2-4-9)8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKey
LZJPEZQINGNPQY-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

173.1052 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 138.6
[M+Na]+ 196.094418 143.3
[M-H]- 172.097924 137.3
[M+NH4]+ 191.139023 155.9
[M+K]+ 212.068358 141.9
[M+H-H2O]+ 156.102460 132.6
[M+HCOO]- 218.103401 154.7
[M+CH3COO]- 232.119051 174.1
[M+Na-2H]- 194.079866 141.4
[M]+ 173.10465142 134.0
[M]- 173.10574858 134.0
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