CID 54238126

[1-(prop-2-en-1-yl)cyclobutyl]methanol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C=CCC1(CCC1)CO

InChI

InChI=1S/C8H14O/c1-2-4-8(7-9)5-3-6-8/h2,9H,1,3-7H2

InChIKey

QOAMPRGRKQXSAC-UHFFFAOYSA-N

Compound name

(1-prop-2-enylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 126.10446 Da
Monoisotopic Mass: 1.8
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]+	127.111736	127.3
[M+Na]+	149.093678	132.9
[M-H]-	125.097184	129.6
[M+NH4]+	144.138283	144.3
[M+K]+	165.067618	134.1
[M+H-H2O]+	109.101720	119.1
[M+HCOO]-	171.102661	147.8
[M+CH3COO]-	185.118311	172.9
[M+Na-2H]-	147.079126	133.7
[M]+	126.10391142	134.3
[M]-	126.10500858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe