CID 118556578

1778671-11-6

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

CC(C1CC1(C)C(C)O)C2=CC=CC=C2

InChI

InChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-9-14(13,3)11(2)15/h4-8,10-11,13,15H,9H2,1-3H3

InChIKey

GOVFHSJWKJPKRE-UHFFFAOYSA-N

Compound name

1-[1-methyl-2-(1-phenylethyl)cyclopropyl]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 204.15141 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]+	205.15869	144.2
[M+Na]+	227.14063	152.1
[M-H]-	203.14413	150.6
[M+NH4]+	222.18523	159.9
[M+K]+	243.11457	149.9
[M+H-H2O]+	187.14867	138.9
[M+HCOO]-	249.14961	164.3
[M+CH3COO]-	263.16526	189.7
[M+Na-2H]-	225.12608	148.2
[M]+	204.15086	146.3
[M]-	204.15196	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe