CID 15099

1462-54-0

Structural Information

Molecular Formula

C₁₅H₃₁NO₂

SMILES

CCCCCCCCCCCCNCCC(=O)O

InChI

InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18/h16H,2-14H2,1H3,(H,17,18)

InChIKey

AEDQNOLIADXSBB-UHFFFAOYSA-N

Compound name

3-(dodecylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 18398
Patents: 257.23547 Da
Monoisotopic Mass: 2.6
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]+	258.24275	169.4
[M+Na]+	280.22469	171.5
[M-H]-	256.22819	166.5
[M+NH4]+	275.26929	185.3
[M+K]+	296.19863	168.8
[M+H-H2O]+	240.23273	162.8
[M+HCOO]-	302.23367	189.4
[M+CH3COO]-	316.24932	200.4
[M+Na-2H]-	278.21014	170.0
[M]+	257.23492	172.8
[M]-	257.23602	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe