CID 6365455

2-hepten-1-ol, 2-propyl-

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCC/C=C(\CCC)/CO

InChI

InChI=1S/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h8,11H,3-7,9H2,1-2H3/b10-8+

InChIKey

BUHGPTZACAIKST-CSKARUKUSA-N

Compound name

(E)-2-propylhept-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 156.15141 Da
Monoisotopic Mass: 3.5
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]+	157.15869	140.2
[M+Na]+	179.14063	145.5
[M-H]-	155.14413	138.5
[M+NH4]+	174.18523	160.8
[M+K]+	195.11457	143.7
[M+H-H2O]+	139.14867	135.5
[M+HCOO]-	201.14961	160.6
[M+CH3COO]-	215.16526	177.9
[M+Na-2H]-	177.12608	143.4
[M]+	156.15086	141.1
[M]-	156.15196	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe