CID 14219281

Nb-methyltetrahydroharmol

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O
InChI
InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKey
AGILGFCOHSGLIT-UHFFFAOYSA-N
Compound name
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.8
[M+Na]+ 239.115488 159.1
[M-H]- 215.118994 149.6
[M+NH4]+ 234.160093 168.1
[M+K]+ 255.089428 153.4
[M+H-H2O]+ 199.123530 142.3
[M+HCOO]- 261.124471 165.6
[M+CH3COO]- 275.140121 160.9
[M+Na-2H]- 237.100936 153.4
[M]+ 216.12572142 147.4
[M]- 216.12681858 147.4
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.