CID 114476

2-aminoundecane

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCCCCCCC(C)N

InChI

InChI=1S/C11H25N/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10,12H2,1-2H3

InChIKey

NHBKWZCTSMCKDS-UHFFFAOYSA-N

Compound name

undecan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 304
Patents: 171.1987 Da
Monoisotopic Mass: 4.3
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	144.7
[M+Na]+	194.18792	153.3
[M+NH4]+	189.23252	152.5
[M+K]+	210.16186	146.6
[M-H]-	170.19142	145.0
[M+Na-2H]-	192.17337	147.4
[M]+	171.19815	145.7
[M]-	171.19925	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe