CID 124151537

Schembl18334305

Structural Information

Molecular Formula

C₂₃H₄₆O₂

SMILES

CCCCCCCCC(CCCCCCCC)COC(=O)C(C)(C)C

InChI

InChI=1S/C23H46O2/c1-6-8-10-12-14-16-18-21(19-17-15-13-11-9-7-2)20-25-22(24)23(3,4)5/h21H,6-20H2,1-5H3

InChIKey

OUQZABZASNQFTG-UHFFFAOYSA-N

Compound name

2-octyldecyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 354.3498 Da
Monoisotopic Mass: 10.1
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]+	355.35708	198.3
[M+Na]+	377.33902	204.6
[M+NH4]+	372.38362	203.0
[M+K]+	393.31296	197.4
[M-H]-	353.34252	195.9
[M+Na-2H]-	375.32447	197.2
[M]+	354.34925	198.3
[M]-	354.35035	198.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe