CID 4120166

69385-29-1

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

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

InChI

InChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2

InChIKey

VXHKUEKHNVGRTP-UHFFFAOYSA-N

Compound name

[1-(4-chlorophenyl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 181.06583 Da
Monoisotopic Mass: 2.2
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]+	182.07311	136.6
[M+Na]+	204.05505	151.8
[M+NH4]+	199.09965	148.6
[M+K]+	220.02899	143.7
[M-H]-	180.05855	148.3
[M+Na-2H]-	202.04050	149.4
[M]+	181.06528	143.8
[M]-	181.06638	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe