CID 99060

13608-15-6

Structural Information

Molecular Formula
C12H13ClN2
SMILES
CC1CC2=C(CN1)NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C12H13ClN2/c1-7-4-9-10-5-8(13)2-3-11(10)15-12(9)6-14-7/h2-3,5,7,14-15H,4,6H2,1H3
InChIKey
VOBUGNPNPZJTIR-UHFFFAOYSA-N
Compound name
6-chloro-3-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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08400 147.4
[M+Na]+ 243.06594 158.1
[M-H]- 219.06944 147.6
[M+NH4]+ 238.11054 167.1
[M+K]+ 259.03988 150.4
[M+H-H2O]+ 203.07398 141.3
[M+HCOO]- 265.07492 159.7
[M+CH3COO]- 279.09057 159.2
[M+Na-2H]- 241.05139 152.6
[M]+ 220.07617 145.8
[M]- 220.07727 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.