CID 9926715

6-chloro-2,3,4,9-tetrahydro-1h-carbazol-3-amine

Structural Information

Molecular Formula
C12H13ClN2
SMILES
C1CC2=C(CC1N)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H13ClN2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3,5,8,15H,2,4,6,14H2
InChIKey
BODQGEOXSNZRGK-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.07672 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08400 146.4
[M+Na]+ 243.06594 156.7
[M-H]- 219.06944 148.9
[M+NH4]+ 238.11054 167.6
[M+K]+ 259.03988 149.6
[M+H-H2O]+ 203.07398 140.9
[M+HCOO]- 265.07492 162.0
[M+CH3COO]- 279.09057 158.9
[M+Na-2H]- 241.05139 151.8
[M]+ 220.07617 144.6
[M]- 220.07727 144.6
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