CID 3041107

Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
CN1CC2=C3C(=CNC3=CC=C2)C1
InChI
InChI=1S/C11H12N2/c1-13-6-8-3-2-4-10-11(8)9(7-13)5-12-10/h2-5,12H,6-7H2,1H3
InChIKey
GBMPOZGCGGWXQH-UHFFFAOYSA-N
Compound name
6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 134.9
[M+Na]+ 195.08927 149.3
[M+NH4]+ 190.13387 145.1
[M+K]+ 211.06321 143.2
[M-H]- 171.09277 136.9
[M+Na-2H]- 193.07472 140.8
[M]+ 172.09950 137.6
[M]- 172.10060 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