CID 21118768

68630-94-4

Structural Information

Molecular Formula

C₂₄H₄₇NO₄

SMILES

CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)OC)C(=O)OC

InChI

InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(24(27)29-3)21-23(26)28-2/h22,25H,4-21H2,1-3H3/t22-/m0/s1

InChIKey

GMXCEYLGVZDMKZ-QFIPXVFZSA-N

Compound name

dimethyl (2S)-2-(octadecylamino)butanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 413.3505 Da
Monoisotopic Mass: 8.4
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]+	414.357776	214.8
[M+Na]+	436.339718	213.5
[M-H]-	412.343224	213.9
[M+NH4]+	431.384323	224.4
[M+K]+	452.313658	210.9
[M+H-H2O]+	396.347760	206.2
[M+HCOO]-	458.348701	227.6
[M+CH3COO]-	472.364351	232.8
[M+Na-2H]-	434.325166	209.0
[M]+	413.34995142	220.7
[M]-	413.35104858	220.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe