CID 3019757

84196-15-6

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCC(C(=O)O)NC1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-2-15(16(19)20)17-14-8-10-18(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3,(H,19,20)
InChIKey
VAKUUPZGMCTDKA-UHFFFAOYSA-N
Compound name
2-[(1-benzylpiperidin-4-yl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.1
[M+Na]+ 299.172998 168.9
[M-H]- 275.176504 169.4
[M+NH4]+ 294.217603 180.0
[M+K]+ 315.146938 165.6
[M+H-H2O]+ 259.181040 158.4
[M+HCOO]- 321.181981 183.3
[M+CH3COO]- 335.197631 200.2
[M+Na-2H]- 297.158446 168.0
[M]+ 276.18323142 161.8
[M]- 276.18432858 161.8
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

No patent data available for this compound.