CID 3041085

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

Structural Information

Molecular Formula
C11H12N2
SMILES
CN1C=C2CNCC3=C2C1=CC=C3
InChI
InChI=1S/C11H12N2/c1-13-7-9-6-12-5-8-3-2-4-10(13)11(8)9/h2-4,7,12H,5-6H2,1H3
InChIKey
DEWOMNAORTXJED-UHFFFAOYSA-N
Compound name
2-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

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe