CID 201097

Piperidin-1-yl-acetic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CCN(CC1)CC(=O)O
InChI
InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)
InChIKey
VRDBIJCCXDEZJN-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

2518
Patents

143.09464 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.0
[M+Na]+ 166.08386 135.7
[M-H]- 142.08736 130.9
[M+NH4]+ 161.12846 150.0
[M+K]+ 182.05780 134.9
[M+H-H2O]+ 126.09190 124.9
[M+HCOO]- 188.09284 148.7
[M+CH3COO]- 202.10849 170.3
[M+Na-2H]- 164.06931 135.5
[M]+ 143.09409 126.0
[M]- 143.09519 126.0
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