CID 256822

2-ethyl-2-propyl-1-hexanol

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCC(CC)(CCC)CO

InChI

InChI=1S/C11H24O/c1-4-7-9-11(6-3,10-12)8-5-2/h12H,4-10H2,1-3H3

InChIKey

GPMZMENGTUFHPF-UHFFFAOYSA-N

Compound name

2-ethyl-2-propylhexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 172.18271 Da
Monoisotopic Mass: 4.0
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]+	173.18999	145.6
[M+Na]+	195.17193	150.8
[M-H]-	171.17543	143.9
[M+NH4]+	190.21653	165.7
[M+K]+	211.14587	149.3
[M+H-H2O]+	155.17997	141.2
[M+HCOO]-	217.18091	165.0
[M+CH3COO]-	231.19656	182.0
[M+Na-2H]-	193.15738	150.1
[M]+	172.18216	147.9
[M]-	172.18326	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe