CID 160510

Harmalan

Structural Information

Molecular Formula
C12H12N2
SMILES
CC1=NCCC2=C1NC3=CC=CC=C23
InChI
InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
InChIKey
CWOYLIJQLSNRRN-UHFFFAOYSA-N
Compound name
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

5857
Patents

184.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 138.3
[M+Na]+ 207.08927 148.8
[M-H]- 183.09277 140.3
[M+NH4]+ 202.13387 159.1
[M+K]+ 223.06321 143.4
[M+H-H2O]+ 167.09731 131.3
[M+HCOO]- 229.09825 158.3
[M+CH3COO]- 243.11390 151.6
[M+Na-2H]- 205.07472 146.4
[M]+ 184.09950 137.6
[M]- 184.10060 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.