CID 23106119

29977-80-8

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1CC1(CC2=CC=C(C=C2)Cl)N

InChI

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

InChIKey

NJUZFTLDBLQHCG-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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	133.2
[M+Na]+	204.05505	143.4
[M-H]-	180.05855	140.4
[M+NH4]+	199.09965	150.7
[M+K]+	220.02899	139.2
[M+H-H2O]+	164.06309	128.4
[M+HCOO]-	226.06403	153.7
[M+CH3COO]-	240.07968	184.8
[M+Na-2H]-	202.04050	140.7
[M]+	181.06528	135.5
[M]-	181.06638	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe