CID 89239667

Cyclopropanemethanol, 2-(1,4-dimethyl-3-penten-1-yl)-1-methyl-

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CC(CC=C(C)C)C1CC1(C)CO

InChI

InChI=1S/C12H22O/c1-9(2)5-6-10(3)11-7-12(11,4)8-13/h5,10-11,13H,6-8H2,1-4H3

InChIKey

FZLOGXXTGWFQFP-UHFFFAOYSA-N

Compound name

[1-methyl-2-(5-methylhex-4-en-2-yl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 440
Patents: 182.16707 Da
Monoisotopic Mass: 3.3
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	142.5
[M+Na]+	205.156288	150.3
[M-H]-	181.159794	145.8
[M+NH4]+	200.200893	159.4
[M+K]+	221.130228	148.1
[M+H-H2O]+	165.164330	138.3
[M+HCOO]-	227.165271	161.5
[M+CH3COO]-	241.180921	187.0
[M+Na-2H]-	203.141736	145.0
[M]+	182.16652142	145.6
[M]-	182.16761858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe