CID 74764139

4,5-dichloro-n-methyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine

Structural Information

Molecular Formula

C₁₄H₁₅Cl₂N

SMILES

CNC1C2CC=CC1CC3=CC(=C(C=C23)Cl)Cl

InChI

InChI=1S/C14H15Cl2N/c1-17-14-8-3-2-4-10(14)11-7-13(16)12(15)6-9(11)5-8/h2-3,6-8,10,14,17H,4-5H2,1H3

InChIKey

HBVBHCYWPAAMTM-UHFFFAOYSA-N

Compound name

4,5-dichloro-N-methyltricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.05817 Da
Monoisotopic Mass: 3.8
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]+	268.065446	156.9
[M+Na]+	290.047388	166.4
[M-H]-	266.050894	159.8
[M+NH4]+	285.091993	177.7
[M+K]+	306.021328	159.3
[M+H-H2O]+	250.055430	152.5
[M+HCOO]-	312.056371	166.3
[M+CH3COO]-	326.072021	168.5
[M+Na-2H]-	288.032836	162.8
[M]+	267.05762142	158.0
[M]-	267.05871858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.