CID 3041351

53970-66-4

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=CC2=C(C=C1)N=C3CCCC3=C2N
InChI
InChI=1S/C13H14N2/c1-8-5-6-12-10(7-8)13(14)9-3-2-4-11(9)15-12/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKey
FUEAQDJAQZSMNY-UHFFFAOYSA-N
Compound name
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.6
[M+Na]+ 221.104908 152.2
[M-H]- 197.108414 146.7
[M+NH4]+ 216.149513 164.6
[M+K]+ 237.078848 147.4
[M+H-H2O]+ 181.112950 136.2
[M+HCOO]- 243.113891 164.1
[M+CH3COO]- 257.129541 156.0
[M+Na-2H]- 219.090356 148.6
[M]+ 198.11514142 140.9
[M]- 198.11623858 140.9
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

patents stripe