CID 141845

6-aminoundecane

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CCCCCC(CCCCC)N

InChI

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

InChIKey

GFBRYGJZWXLRFR-UHFFFAOYSA-N

Compound name

undecan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 171.1987 Da
Monoisotopic Mass: 4.0
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	147.1
[M+Na]+	194.18792	151.1
[M-H]-	170.19142	145.9
[M+NH4]+	189.23252	167.2
[M+K]+	210.16186	149.7
[M+H-H2O]+	154.19596	141.5
[M+HCOO]-	216.19690	168.6
[M+CH3COO]-	230.21255	187.4
[M+Na-2H]-	192.17337	149.3
[M]+	171.19815	147.7
[M]-	171.19925	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe