CID 31730

Wam4hf7bu4

Structural Information

Molecular Formula

C₁₃H₁₈ClN

SMILES

CC(CC1=CC=C(C=C1)Cl)NCC2CC2

InChI

InChI=1S/C13H18ClN/c1-10(15-9-12-2-3-12)8-11-4-6-13(14)7-5-11/h4-7,10,12,15H,2-3,8-9H2,1H3

InChIKey

IFPHKNRVEGIFBA-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.11278 Da
Monoisotopic Mass: 3.6
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]+	224.120056	145.2
[M+Na]+	246.101998	153.1
[M-H]-	222.105504	152.0
[M+NH4]+	241.146603	159.3
[M+K]+	262.075938	148.1
[M+H-H2O]+	206.110040	138.9
[M+HCOO]-	268.110981	164.7
[M+CH3COO]-	282.126631	195.3
[M+Na-2H]-	244.087446	150.0
[M]+	223.11223142	148.6
[M]-	223.11332858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe