CID 1868

20315-68-8

Structural Information

Molecular Formula
C12H14N2O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3
InChI
InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKey
QYMDEOQLJUUNOF-UHFFFAOYSA-N
Compound name
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

78
References

609
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.1
[M+Na]+ 225.09983 152.0
[M-H]- 201.10333 143.3
[M+NH4]+ 220.14443 162.3
[M+K]+ 241.07377 146.6
[M+H-H2O]+ 185.10787 136.2
[M+HCOO]- 247.10881 160.3
[M+CH3COO]- 261.12446 155.0
[M+Na-2H]- 223.08528 149.8
[M]+ 202.11006 140.6
[M]- 202.11116 140.6
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.