CID 3018061

Schembl11461248

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

C(CCCC=CCCC(=O)O)CCCN

InChI

InChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h4,6H,1-3,5,7-11,13H2,(H,14,15)

InChIKey

HYAXMGTZOLISRL-UHFFFAOYSA-N

Compound name

12-aminododec-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 213.17288 Da
Monoisotopic Mass: 0.1
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]+	214.180156	155.1
[M+Na]+	236.162098	158.9
[M-H]-	212.165604	152.3
[M+NH4]+	231.206703	172.5
[M+K]+	252.136038	155.9
[M+H-H2O]+	196.170140	149.1
[M+HCOO]-	258.171081	175.6
[M+CH3COO]-	272.186731	189.2
[M+Na-2H]-	234.147546	156.2
[M]+	213.17233142	155.5
[M]-	213.17342858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe