CID 71740391

1-chloro-5h,6h,7h,8h,9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1CCC2=C(C1)C3=C(N2)C(=NC=C3)Cl
InChI
InChI=1S/C11H11ClN2/c12-11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h5-6,14H,1-4H2
InChIKey
VTQMAYMOEGHEOZ-UHFFFAOYSA-N
Compound name
1-chloro-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 142.1
[M+Na]+ 229.05030 152.7
[M-H]- 205.05380 143.4
[M+NH4]+ 224.09490 162.7
[M+K]+ 245.02424 146.2
[M+H-H2O]+ 189.05834 135.5
[M+HCOO]- 251.05928 156.2
[M+CH3COO]- 265.07493 154.7
[M+Na-2H]- 227.03575 149.0
[M]+ 206.06053 141.5
[M]- 206.06163 141.5
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.