CID 1480362

4-amino-1-benzylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCC1(C(=O)O)N)CC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c14-13(12(16)17)6-8-15(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,16,17)
InChIKey
UAPJXCZSNCQLMR-UHFFFAOYSA-N
Compound name
4-amino-1-benzylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

234.13683 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.5
[M+Na]+ 257.12605 159.0
[M-H]- 233.12955 157.3
[M+NH4]+ 252.17065 171.1
[M+K]+ 273.09999 155.9
[M+H-H2O]+ 217.13409 147.1
[M+HCOO]- 279.13503 172.2
[M+CH3COO]- 293.15068 189.3
[M+Na-2H]- 255.11150 158.3
[M]+ 234.13628 148.2
[M]- 234.13738 148.2
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