CID 3046881

4-chloro-7-methylamino-6,7-dihydro(5h)benzocycloheptene hydrochloride

Structural Information

Molecular Formula
C12H14ClN
SMILES
CNC1CCC2=C(C=CC=C2Cl)C=C1
InChI
InChI=1S/C12H14ClN/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10/h2-6,10,14H,7-8H2,1H3
InChIKey
OTMUCHOAEIVYAS-UHFFFAOYSA-N
Compound name
1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.08148 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 140.6
[M+Na]+ 230.07070 153.0
[M+NH4]+ 225.11530 150.3
[M+K]+ 246.04464 146.1
[M-H]- 206.07420 144.6
[M+Na-2H]- 228.05615 148.3
[M]+ 207.08093 143.9
[M]- 207.08203 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.