CID 3803797

2-decanol, 8-methyl-, propanoate

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCC(C)CCCCCC(C)O

InChI

InChI=1S/C11H24O/c1-4-10(2)8-6-5-7-9-11(3)12/h10-12H,4-9H2,1-3H3

InChIKey

QXDCUXPLCGLNNP-UHFFFAOYSA-N

Compound name

8-methyldecan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 172.18271 Da
Monoisotopic Mass: 4.2
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]+	173.18999	144.4
[M+Na]+	195.17193	153.3
[M+NH4]+	190.21653	151.8
[M+K]+	211.14587	147.6
[M-H]-	171.17543	143.4
[M+Na-2H]-	193.15738	146.5
[M]+	172.18216	145.2
[M]-	172.18326	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe