CID 202971

13608-16-7

Structural Information

Molecular Formula
C12H13ClN2
SMILES
CC1CNCC2=C1C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H13ClN2/c1-7-5-14-6-11-12(7)9-4-8(13)2-3-10(9)15-11/h2-4,7,14-15H,5-6H2,1H3
InChIKey
MQFMQAOAZJDUQG-UHFFFAOYSA-N
Compound name
6-chloro-4-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07672 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.083996 147.4
[M+Na]+ 243.065938 158.1
[M-H]- 219.069444 147.6
[M+NH4]+ 238.110543 167.1
[M+K]+ 259.039878 150.4
[M+H-H2O]+ 203.073980 141.3
[M+HCOO]- 265.074921 159.7
[M+CH3COO]- 279.090571 159.2
[M+Na-2H]- 241.051386 152.6
[M]+ 220.07617142 145.8
[M]- 220.07726858 145.8
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.