CID 91694

Fenpropidin

Structural Information

Molecular Formula

C₁₉H₃₁N

SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2

InChI

InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

InChIKey

MGNFYQILYYYUBS-UHFFFAOYSA-N

Compound name

1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 19
References: 35956
Patents: 273.24564 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.25292	171.1
[M+Na]+	296.23486	173.7
[M-H]-	272.23836	174.7
[M+NH4]+	291.27946	185.8
[M+K]+	312.20880	170.0
[M+H-H2O]+	256.24290	162.9
[M+HCOO]-	318.24384	185.6
[M+CH3COO]-	332.25949	202.4
[M+Na-2H]-	294.22031	172.3
[M]+	273.24509	167.4
[M]-	273.24619	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe