CID 346152

N-lauroylglycine

Structural Information

Molecular Formula

C₁₄H₂₇NO₃

SMILES

CCCCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)

InChIKey

JWGGSJFIGIGFSQ-UHFFFAOYSA-N

Compound name

2-(dodecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 5932
Patents: 257.1991 Da
Monoisotopic Mass: 4.3
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]+	258.20638	167.1
[M+Na]+	280.18832	169.8
[M-H]-	256.19182	164.5
[M+NH4]+	275.23292	182.9
[M+K]+	296.16226	167.7
[M+H-H2O]+	240.19636	160.6
[M+HCOO]-	302.19730	186.9
[M+CH3COO]-	316.21295	198.7
[M+Na-2H]-	278.17377	167.1
[M]+	257.19855	170.2
[M]-	257.19965	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe