CID 81742

N-undecylamine

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCCCCCCCCN

InChI

InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3

InChIKey

QFKMMXYLAPZKIB-UHFFFAOYSA-N

Compound name

undecan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 13333
Patents: 171.1987 Da
Monoisotopic Mass: 4.7
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]+	172.20598	146.1
[M+Na]+	194.18792	150.3
[M-H]-	170.19142	144.8
[M+NH4]+	189.23252	166.2
[M+K]+	210.16186	148.4
[M+H-H2O]+	154.19596	140.4
[M+HCOO]-	216.19690	168.6
[M+CH3COO]-	230.21255	186.6
[M+Na-2H]-	192.17337	149.6
[M]+	171.19815	147.4
[M]-	171.19925	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe