CID 118799025

5565-76-4

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1C=C2C(C(=O)N1)NC3=C2C=CC=C3Cl
InChI
InChI=1S/C11H9ClN2O/c12-8-3-1-2-6-7-4-5-13-11(15)10(7)14-9(6)8/h1-4,10,14H,5H2,(H,13,15)
InChIKey
SXQXFBWPESOCKS-UHFFFAOYSA-N
Compound name
8-chloro-2,3,9,9a-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.047616 146.0
[M+Na]+ 243.029558 156.3
[M-H]- 219.033064 146.1
[M+NH4]+ 238.074163 165.4
[M+K]+ 259.003498 149.1
[M+H-H2O]+ 203.037600 140.0
[M+HCOO]- 265.038541 157.5
[M+CH3COO]- 279.054191 157.6
[M+Na-2H]- 241.015006 150.9
[M]+ 220.03979142 143.3
[M]- 220.04088858 143.3
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.