CID 22493

6115-67-9

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1CCC2=NC3=C(C=C(C=C3)Cl)C(=C2C1)N
InChI
InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
InChIKey
PUKKYURTEBJMKJ-UHFFFAOYSA-N
Compound name
7-chloro-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

232.07672 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 149.1
[M+Na]+ 255.06594 158.4
[M-H]- 231.06944 152.3
[M+NH4]+ 250.11054 168.4
[M+K]+ 271.03988 152.0
[M+H-H2O]+ 215.07398 142.5
[M+HCOO]- 277.07492 163.6
[M+CH3COO]- 291.09057 161.1
[M+Na-2H]- 253.05139 156.2
[M]+ 232.07617 147.2
[M]- 232.07727 147.2
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