CID 10909577

{bicyclo[4.1.0]heptan-1-yl}methanol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CCC2(CC2C1)CO

InChI

InChI=1S/C8H14O/c9-6-8-4-2-1-3-7(8)5-8/h7,9H,1-6H2

InChIKey

PCJSMYIXEWHDDF-UHFFFAOYSA-N

Compound name

1-bicyclo[4.1.0]heptanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
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	128.2
[M+Na]+	149.093678	136.5
[M-H]-	125.097184	132.1
[M+NH4]+	144.138283	147.7
[M+K]+	165.067618	134.8
[M+H-H2O]+	109.101720	123.7
[M+HCOO]-	171.102661	147.2
[M+CH3COO]-	185.118311	172.3
[M+Na-2H]-	147.079126	136.5
[M]+	126.10391142	127.4
[M]-	126.10500858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe