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]+ 187.12297 140.2
[M+Na]+ 209.10491 151.0
[M-H]- 185.10841 142.9
[M+NH4]+ 204.14951 162.3
[M+K]+ 225.07885 146.9
[M+H-H2O]+ 169.11295 133.2
[M+HCOO]- 231.11389 160.3
[M+CH3COO]- 245.12954 154.0
[M+Na-2H]- 207.09036 147.4
[M]+ 186.11514 142.1
[M]- 186.11624 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