CID 904970

8-chloro-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1CNCC2=C1NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C11H11ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
InChIKey
LCKUBQBEDRQTRC-UHFFFAOYSA-N
Compound name
8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

57
Patents

206.06108 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.068356 142.1
[M+Na]+ 229.050298 152.4
[M-H]- 205.053804 142.1
[M+NH4]+ 224.094903 162.1
[M+K]+ 245.024238 145.0
[M+H-H2O]+ 189.058340 135.9
[M+HCOO]- 251.059281 154.8
[M+CH3COO]- 265.074931 154.1
[M+Na-2H]- 227.035746 148.7
[M]+ 206.06053142 139.8
[M]- 206.06162858 139.8
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