CID 3041101

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

Structural Information

Molecular Formula
C12H14N2
SMILES
CN1CC2=C3C(=CN(C3=CC=C2)C)C1
InChI
InChI=1S/C12H14N2/c1-13-6-9-4-3-5-11-12(9)10(7-13)8-14(11)2/h3-5,8H,6-7H2,1-2H3
InChIKey
RQBYMGMTROOLEO-UHFFFAOYSA-N
Compound name
2,6-dimethyl-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

3
Patents

186.11569 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.2
[M+Na]+ 209.104908 151.0
[M-H]- 185.108414 142.9
[M+NH4]+ 204.149513 162.3
[M+K]+ 225.078848 146.9
[M+H-H2O]+ 169.112950 133.2
[M+HCOO]- 231.113891 160.3
[M+CH3COO]- 245.129541 154.0
[M+Na-2H]- 207.090356 147.4
[M]+ 186.11514142 142.1
[M]- 186.11623858 142.1
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