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 135.6
[M+Na]+ 195.08927 145.5
[M-H]- 171.09277 136.7
[M+NH4]+ 190.13387 157.2
[M+K]+ 211.06321 140.8
[M+H-H2O]+ 155.09731 128.9
[M+HCOO]- 217.09825 154.6
[M+CH3COO]- 231.11390 148.8
[M+Na-2H]- 193.07472 143.7
[M]+ 172.09950 135.0
[M]- 172.10060 135.0
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