CID 3044634

57611-60-6

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C16H24N2O2/c1-2-12-20-15(19)16(17)8-10-18(11-9-16)13-14-6-4-3-5-7-14/h3-7H,2,8-13,17H2,1H3
InChIKey
GNQQTPGYQUFNEU-UHFFFAOYSA-N
Compound name
propyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.9
[M+Na]+ 299.17300 178.1
[M+NH4]+ 294.21760 176.4
[M+K]+ 315.14694 169.6
[M-H]- 275.17650 171.1
[M+Na-2H]- 297.15845 175.1
[M]+ 276.18323 170.1
[M]- 276.18433 170.1
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