CID 9926846

Isopropyl lauroyl sarcosinate

Structural Information

Molecular Formula

C₁₈H₃₅NO₃

SMILES

CCCCCCCCCCCC(=O)N(C)CC(=O)OC(C)C

InChI

InChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19(4)15-18(21)22-16(2)3/h16H,5-15H2,1-4H3

InChIKey

XLCIFRJORZNGEV-UHFFFAOYSA-N

Compound name

propan-2-yl 2-[dodecanoyl(methyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3266
Patents: 313.2617 Da
Monoisotopic Mass: 5.6
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]+	314.268976	185.7
[M+Na]+	336.250918	187.3
[M-H]-	312.254424	185.5
[M+NH4]+	331.295523	200.7
[M+K]+	352.224858	187.0
[M+H-H2O]+	296.258960	178.4
[M+HCOO]-	358.259901	205.2
[M+CH3COO]-	372.275551	216.8
[M+Na-2H]-	334.236366	182.1
[M]+	313.26115142	192.8
[M]-	313.26224858	192.8

Literature stripe

literature stripe

Patent stripe

patents stripe