CID 42614198

13725-02-5

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)(C(=O)O)N
InChI
InChI=1S/C13H18N2O2/c14-13(12(16)17)7-4-8-15(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,16,17)
InChIKey
SIHICTGIUNQECV-UHFFFAOYSA-N
Compound name
3-amino-1-benzylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.13683 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.5
[M+Na]+ 257.126048 159.0
[M-H]- 233.129554 157.3
[M+NH4]+ 252.170653 171.1
[M+K]+ 273.099988 155.9
[M+H-H2O]+ 217.134090 147.1
[M+HCOO]- 279.135031 172.2
[M+CH3COO]- 293.150681 189.3
[M+Na-2H]- 255.111496 158.3
[M]+ 234.13628142 148.2
[M]- 234.13737858 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