CID 70112

Cyclopropylbenzene

Structural Information

Molecular Formula

C₉H₁₀

SMILES

C1CC1C2=CC=CC=C2

InChI

InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2

InChIKey

VFSFCYAQBIPUSL-UHFFFAOYSA-N

Compound name

cyclopropylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 3189
Patents: 118.07825 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]+	119.08553	125.1
[M+Na]+	141.06747	140.5
[M+NH4]+	136.11207	136.2
[M+K]+	157.04141	134.1
[M-H]-	117.07097	136.6
[M+Na-2H]-	139.05292	137.4
[M]+	118.07770	131.8
[M]-	118.07880	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe