CID 22006

5778-86-9

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)N
InChI
InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
InChIKey
GOXLVSZAUDIXPN-UHFFFAOYSA-N
Compound name
7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

212.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 145.1
[M+Na]+ 235.12057 151.3
[M-H]- 211.12407 149.6
[M+NH4]+ 230.16517 163.2
[M+K]+ 251.09451 150.6
[M+H-H2O]+ 195.12861 139.0
[M+HCOO]- 257.12955 163.6
[M+CH3COO]- 271.14520 156.6
[M+Na-2H]- 233.10602 152.7
[M]+ 212.13080 138.4
[M]- 212.13190 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe