CID 15577856

{3-methylbicyclo[3.1.0]hexan-3-yl}methanol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1(CC2CC2C1)CO

InChI

InChI=1S/C8H14O/c1-8(5-9)3-6-2-7(6)4-8/h6-7,9H,2-5H2,1H3

InChIKey

HLWSXPYOJYJETE-UHFFFAOYSA-N

Compound name

(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.10446 Da
Monoisotopic Mass: 1.5
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]+	127.11174	126.7
[M+Na]+	149.09368	136.7
[M-H]-	125.09718	131.0
[M+NH4]+	144.13828	148.2
[M+K]+	165.06762	134.3
[M+H-H2O]+	109.10172	123.0
[M+HCOO]-	171.10266	147.5
[M+CH3COO]-	185.11831	173.1
[M+Na-2H]-	147.07913	133.2
[M]+	126.10391	128.3
[M]-	126.10501	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe