CID 3015223

Ns00050245

Structural Information

Molecular Formula

C₁₈H₃₇N

SMILES

CCCCCCCCCCCCCCCCC=CN

InChI

InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h17-18H,2-16,19H2,1H3

InChIKey

WGNKXCMZCXHUHX-UHFFFAOYSA-N

Compound name

octadec-1-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1035
Patents: 267.2926 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]+	268.299876	176.0
[M+Na]+	290.281818	177.7
[M-H]-	266.285324	173.4
[M+NH4]+	285.326423	192.2
[M+K]+	306.255758	173.3
[M+H-H2O]+	250.289860	169.0
[M+HCOO]-	312.290801	196.4
[M+CH3COO]-	326.306451	206.2
[M+Na-2H]-	288.267266	175.8
[M]+	267.29205142	179.2
[M]-	267.29314858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe