CID 3565

Harmalol

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=NCCC2=C1NC3=C2C=CC(=C3)O
InChI
InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
InChIKey
RHVPEFQDYMMNSY-UHFFFAOYSA-N
Compound name
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

55
References

659
Patents

200.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.2
[M+Na]+ 223.08418 153.1
[M-H]- 199.08768 143.3
[M+NH4]+ 218.12878 162.0
[M+K]+ 239.05812 147.5
[M+H-H2O]+ 183.09222 135.7
[M+HCOO]- 245.09316 160.9
[M+CH3COO]- 259.10881 155.0
[M+Na-2H]- 221.06963 149.2
[M]+ 200.09441 141.6
[M]- 200.09551 141.6
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.