CID 3079311

125080-90-2

Structural Information

Molecular Formula
C13H18N2
SMILES
CN1C2=C(CCCC2)C(=N)C3=C1CCC3
InChI
InChI=1S/C13H18N2/c1-15-11-7-3-2-5-9(11)13(14)10-6-4-8-12(10)15/h14H,2-8H2,1H3
InChIKey
JWWCAPXXVIYGGO-UHFFFAOYSA-N
Compound name
4-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

202.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 144.3
[M+Na]+ 225.13622 152.0
[M-H]- 201.13972 148.1
[M+NH4]+ 220.18082 166.1
[M+K]+ 241.11016 147.3
[M+H-H2O]+ 185.14426 137.7
[M+HCOO]- 247.14520 163.6
[M+CH3COO]- 261.16085 156.7
[M+Na-2H]- 223.12167 149.2
[M]+ 202.14645 139.9
[M]- 202.14755 139.9
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.