CID 22492

6115-65-7

Structural Information

Molecular Formula
C16H18ClN
SMILES
CC1=C2C(=C(C=C1)C)N=C3CCCCCC3=C2Cl
InChI
InChI=1S/C16H18ClN/c1-10-8-9-11(2)16-14(10)15(17)12-6-4-3-5-7-13(12)18-16/h8-9H,3-7H2,1-2H3
InChIKey
CSANWHVDIQWLEU-UHFFFAOYSA-N
Compound name
11-chloro-1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11276 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.120036 156.1
[M+Na]+ 282.101978 165.4
[M-H]- 258.105484 161.0
[M+NH4]+ 277.146583 174.4
[M+K]+ 298.075918 163.0
[M+H-H2O]+ 242.110020 150.3
[M+HCOO]- 304.110961 169.3
[M+CH3COO]- 318.126611 167.9
[M+Na-2H]- 280.087426 161.3
[M]+ 259.11221142 154.2
[M]- 259.11330858 154.2
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.