CID 22005

5778-85-8

Structural Information

Molecular Formula
C15H18N2
SMILES
CC1=CC2=C(C=C1)N=C3CCCCCC3=C2N
InChI
InChI=1S/C15H18N2/c1-10-7-8-14-12(9-10)15(16)11-5-3-2-4-6-13(11)17-14/h7-9H,2-6H2,1H3,(H2,16,17)
InChIKey
MKSVFVUUGMOBJE-UHFFFAOYSA-N
Compound name
2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 150.0
[M+Na]+ 249.13622 156.7
[M-H]- 225.13972 154.7
[M+NH4]+ 244.18082 167.8
[M+K]+ 265.11016 155.9
[M+H-H2O]+ 209.14426 143.9
[M+HCOO]- 271.14520 168.1
[M+CH3COO]- 285.16085 161.4
[M+Na-2H]- 247.12167 156.3
[M]+ 226.14645 144.0
[M]- 226.14755 144.0
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.