CID 19988354

Schembl538816

Structural Information

Molecular Formula

C₂₄H₄₈O₂

SMILES

CCCCCCCCCCCCCCCCC(CC)(CCCC)C(=O)O

InChI

InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(6-3,23(25)26)21-8-5-2/h4-22H2,1-3H3,(H,25,26)

InChIKey

XCPXJFFSGMERLK-UHFFFAOYSA-N

Compound name

2-butyl-2-ethyloctadecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 731
Patents: 368.36542 Da
Monoisotopic Mass: 10.9
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]+	369.372696	205.9
[M+Na]+	391.354638	205.8
[M-H]-	367.358144	201.8
[M+NH4]+	386.399243	217.9
[M+K]+	407.328578	201.2
[M+H-H2O]+	351.362680	199.0
[M+HCOO]-	413.363621	220.4
[M+CH3COO]-	427.379271	222.6
[M+Na-2H]-	389.340086	202.5
[M]+	368.36487142	213.3
[M]-	368.36596858	213.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe