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

2
Patents

276.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.6
[M+Na]+ 299.172998 171.2
[M-H]- 275.176504 171.1
[M+NH4]+ 294.217603 183.2
[M+K]+ 315.146938 168.3
[M+H-H2O]+ 259.181040 159.2
[M+HCOO]- 321.181981 185.7
[M+CH3COO]- 335.197631 200.1
[M+Na-2H]- 297.158446 170.2
[M]+ 276.18323142 164.0
[M]- 276.18432858 164.0
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