CID 160510

1-methyl-3h,4h,9h-pyrido[3,4-b]indole

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
2
Annotation Hits

20
References

5713
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

literature stripe

Patent stripe

patents stripe