CID 202971

Brn 0522679

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]+ 221.08400 145.8
[M+Na]+ 243.06594 160.7
[M+NH4]+ 238.11054 155.8
[M+K]+ 259.03988 154.1
[M-H]- 219.06944 147.9
[M+Na-2H]- 241.05139 151.2
[M]+ 220.07617 148.8
[M]- 220.07727 148.8
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.