CID 22484485

1965309-39-0

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1CC2=C(C1CN)C=CC(=C2)Cl

InChI

InChI=1S/C10H12ClN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2,6,12H2

InChIKey

KPEVHKNJPRPKIB-UHFFFAOYSA-N

Compound name

(5-chloro-2,3-dihydro-1H-inden-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 181.06583 Da
Monoisotopic Mass: 2.1
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]+	182.073106	138.4
[M+Na]+	204.055048	147.6
[M-H]-	180.058554	142.4
[M+NH4]+	199.099653	162.0
[M+K]+	220.028988	142.5
[M+H-H2O]+	164.063090	133.9
[M+HCOO]-	226.064031	157.6
[M+CH3COO]-	240.079681	152.2
[M+Na-2H]-	202.040496	143.1
[M]+	181.06528142	137.7
[M]-	181.06637858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe