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

597
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

literature stripe

Patent stripe

patents stripe