CID 22833454

Einecs 289-185-9

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCCC(CC)CCCCCCCN

InChI

InChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3

InChIKey

KFBNTNYCQVDLBK-UHFFFAOYSA-N

Compound name

8-ethylundecan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 91
Patents: 199.23 Da
Monoisotopic Mass: 5.1
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]+	200.237276	156.2
[M+Na]+	222.219218	159.4
[M-H]-	198.222724	154.7
[M+NH4]+	217.263823	175.1
[M+K]+	238.193158	157.4
[M+H-H2O]+	182.227260	150.2
[M+HCOO]-	244.228201	177.0
[M+CH3COO]-	258.243851	193.4
[M+Na-2H]-	220.204666	157.3
[M]+	199.22945142	157.6
[M]-	199.23054858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe