CID 118599849

1849616-53-0

Structural Information

Molecular Formula

C₂₂H₄₄O₃

SMILES

CCCCCCCCC(CCCCCC)C(=O)OCCCCCCO

InChI

InChI=1S/C22H44O3/c1-3-5-7-9-10-14-18-21(17-13-8-6-4-2)22(24)25-20-16-12-11-15-19-23/h21,23H,3-20H2,1-2H3

InChIKey

UXIKXWBASZQWHX-UHFFFAOYSA-N

Compound name

6-hydroxyhexyl 2-hexyldecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 356.32904 Da
Monoisotopic Mass: 8.0
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]+	357.33632	201.0
[M+Na]+	379.31826	201.0
[M-H]-	355.32176	196.9
[M+NH4]+	374.36286	213.2
[M+K]+	395.29220	197.4
[M+H-H2O]+	339.32630	193.6
[M+HCOO]-	401.32724	216.9
[M+CH3COO]-	415.34289	218.3
[M+Na-2H]-	377.30371	196.5
[M]+	356.32849	208.7
[M]-	356.32959	208.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe