CID 12276553

40122-37-0

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC1=CC=C(C=C1)C2(CC2)O

InChI

InChI=1S/C10H12O/c1-8-2-4-9(5-3-8)10(11)6-7-10/h2-5,11H,6-7H2,1H3

InChIKey

RXURTCZBEWFHME-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclopropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 148.08882 Da
Monoisotopic Mass: 1.7
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]+	149.096096	128.6
[M+Na]+	171.078038	138.8
[M-H]-	147.081544	135.7
[M+NH4]+	166.122643	146.7
[M+K]+	187.051978	136.6
[M+H-H2O]+	131.086080	123.7
[M+HCOO]-	193.087021	151.9
[M+CH3COO]-	207.102671	176.6
[M+Na-2H]-	169.063486	136.9
[M]+	148.08827142	130.5
[M]-	148.08936858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe