CID 160053

N-allyldecylamine

Structural Information

Molecular Formula

C₁₃H₂₇N

SMILES

CCCCCCCCCCNCC=C

InChI

InChI=1S/C13H27N/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4,14H,2-3,5-13H2,1H3

InChIKey

USGYNNGHZHARJS-UHFFFAOYSA-N

Compound name

N-prop-2-enyldecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 668
Patents: 197.21436 Da
Monoisotopic Mass: 4.9
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]+	198.221636	153.2
[M+Na]+	220.203578	156.9
[M-H]-	196.207084	152.1
[M+NH4]+	215.248183	172.4
[M+K]+	236.177518	154.2
[M+H-H2O]+	180.211620	147.2
[M+HCOO]-	242.212561	175.8
[M+CH3COO]-	256.228211	192.5
[M+Na-2H]-	218.189026	156.8
[M]+	197.21381142	155.6
[M]-	197.21490858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe