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]+ 207.068356 142.1
[M+Na]+ 229.050298 152.7
[M-H]- 205.053804 143.4
[M+NH4]+ 224.094903 162.7
[M+K]+ 245.024238 146.2
[M+H-H2O]+ 189.058340 135.5
[M+HCOO]- 251.059281 156.2
[M+CH3COO]- 265.074931 154.7
[M+Na-2H]- 227.035746 149.0
[M]+ 206.06053142 141.5
[M]- 206.06162858 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.