CID 28430436

1019506-73-0

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C1CC1CNCC2=CC=CC=C2Cl

InChI

InChI=1S/C11H14ClN/c12-11-4-2-1-3-10(11)8-13-7-9-5-6-9/h1-4,9,13H,5-8H2

InChIKey

CKMCUXSARFZPSC-UHFFFAOYSA-N

Compound name

N-[(2-chlorophenyl)methyl]-1-cyclopropylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08148 Da
Monoisotopic Mass: 2.7
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]+	196.088756	137.1
[M+Na]+	218.070698	146.1
[M-H]-	194.074204	144.2
[M+NH4]+	213.115303	152.4
[M+K]+	234.044638	141.2
[M+H-H2O]+	178.078740	131.0
[M+HCOO]-	240.079681	158.1
[M+CH3COO]-	254.095331	188.7
[M+Na-2H]-	216.056146	144.1
[M]+	195.08093142	140.3
[M]-	195.08202858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.