CID 1502086

N-cbz-4-piperidineacetic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1CN(CCC1CC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c17-14(18)10-12-6-8-16(9-7-12)15(19)20-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18)
InChIKey
BUNUQMSIKUGVKD-UHFFFAOYSA-N
Compound name
2-(1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

277.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.1
[M+Na]+ 300.12062 167.5
[M-H]- 276.12412 166.8
[M+NH4]+ 295.16522 177.2
[M+K]+ 316.09456 165.1
[M+H-H2O]+ 260.12866 155.7
[M+HCOO]- 322.12960 180.2
[M+CH3COO]- 336.14525 194.3
[M+Na-2H]- 298.10607 165.2
[M]+ 277.13085 161.2
[M]- 277.13195 161.2
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