CID 11962700

Dtxsid90919798

Structural Information

Molecular Formula

C₂₄H₄₇NO₂

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCC(CC1)CN

InChI

InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h22-23H,2-21,25H2,1H3

InChIKey

FNNJSYRQSGKSAY-UHFFFAOYSA-N

Compound name

hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 350
Patents: 381.3607 Da
Monoisotopic Mass: 8.4
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]+	382.367976	205.9
[M+Na]+	404.349918	203.8
[M-H]-	380.353424	205.1
[M+NH4]+	399.394523	216.9
[M+K]+	420.323858	199.4
[M+H-H2O]+	364.357960	197.1
[M+HCOO]-	426.358901	221.0
[M+CH3COO]-	440.374551	226.2
[M+Na-2H]-	402.335366	200.4
[M]+	381.36015142	207.0
[M]-	381.36124858	207.0

Literature stripe

literature stripe

Patent stripe

patents stripe