CID 53481664

Pristanoylglycine

Structural Information

Molecular Formula

C₂₁H₄₁NO₃

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O

InChI

InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24)

InChIKey

ILSMDNVBZYGMDG-UHFFFAOYSA-N

Compound name

2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.30865 Da
Monoisotopic Mass: 7.2
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]+	356.315926	199.9
[M+Na]+	378.297868	198.9
[M-H]-	354.301374	196.4
[M+NH4]+	373.342473	208.6
[M+K]+	394.271808	197.3
[M+H-H2O]+	338.305910	192.9
[M+HCOO]-	400.306851	202.4
[M+CH3COO]-	414.322501	223.0
[M+Na-2H]-	376.283316	191.3
[M]+	355.30810142	203.0
[M]-	355.30919858	203.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.