CID 2724020

80866-81-5

Structural Information

Molecular Formula

C₁₀H₁₁ClO

SMILES

C1CC1(CO)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H11ClO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,12H,5-7H2

InChIKey

BGZFRSZKNNOKSW-UHFFFAOYSA-N

Compound name

[1-(4-chlorophenyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 182.04984 Da
Monoisotopic Mass: 2.4
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]+	183.057116	132.7
[M+Na]+	205.039058	143.3
[M-H]-	181.042564	139.2
[M+NH4]+	200.083663	150.0
[M+K]+	221.012998	139.3
[M+H-H2O]+	165.047100	128.3
[M+HCOO]-	227.048041	151.5
[M+CH3COO]-	241.063691	180.3
[M+Na-2H]-	203.024506	140.5
[M]+	182.04929142	136.3
[M]-	182.05038858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe