CID 5281404

Harman

Structural Information

Molecular Formula
C12H10N2
SMILES
CC1=NC=CC2=C1NC3=CC=CC=C23
InChI
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKey
PSFDQSOCUJVVGF-UHFFFAOYSA-N
Compound name
1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

587
References

9416
Patents

182.0844 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.091676 136.9
[M+Na]+ 205.073618 148.5
[M-H]- 181.077124 139.3
[M+NH4]+ 200.118223 157.9
[M+K]+ 221.047558 142.9
[M+H-H2O]+ 165.081660 130.0
[M+HCOO]- 227.082601 158.4
[M+CH3COO]- 241.098251 150.7
[M+Na-2H]- 203.059066 146.1
[M]+ 182.08385142 137.6
[M]- 182.08494858 137.6
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