CID 91522

Tetrahydroharman

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3
InChIKey
LPIJOZBIVDCQTE-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

136
Patents

186.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.3
[M+Na]+ 209.10491 154.0
[M+NH4]+ 204.14951 150.0
[M+K]+ 225.07885 148.1
[M-H]- 185.10841 142.3
[M+Na-2H]- 207.09036 145.8
[M]+ 186.11514 142.8
[M]- 186.11624 142.8
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