CID 107133

3608-17-1

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CC1CC2C(C2(C)C)CC1C(C)O

InChI

InChI=1S/C12H22O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h7-11,13H,5-6H2,1-4H3

InChIKey

KJTWLZQJNFGTAH-UHFFFAOYSA-N

Compound name

1-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.16707 Da
Monoisotopic Mass: 3.2
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]+	183.174346	142.0
[M+Na]+	205.156288	150.9
[M-H]-	181.159794	146.2
[M+NH4]+	200.200893	160.2
[M+K]+	221.130228	148.5
[M+H-H2O]+	165.164330	138.0
[M+HCOO]-	227.165271	158.5
[M+CH3COO]-	241.180921	187.9
[M+Na-2H]-	203.141736	145.3
[M]+	182.16652142	143.2
[M]-	182.16761858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.