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]+ 173.107326 135.6
[M+Na]+ 195.089268 145.5
[M-H]- 171.092774 136.7
[M+NH4]+ 190.133873 157.2
[M+K]+ 211.063208 140.8
[M+H-H2O]+ 155.097310 128.9
[M+HCOO]- 217.098251 154.6
[M+CH3COO]- 231.113901 148.8
[M+Na-2H]- 193.074716 143.7
[M]+ 172.09950142 135.0
[M]- 172.10059858 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