CID 3041097

1,3,4,5-tetrahydropyrrolo(4,3,2-de)isoquinoline hydrochloride

Structural Information

Molecular Formula
C10H10N2
SMILES
C1C2=C3C(=CNC3=CC=C2)CN1
InChI
InChI=1S/C10H10N2/c1-2-7-4-11-5-8-6-12-9(3-1)10(7)8/h1-3,6,11-12H,4-5H2
InChIKey
GXZBEFHGCFDMAY-UHFFFAOYSA-N
Compound name
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

11
Patents

158.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 130.7
[M+Na]+ 181.073618 139.8
[M-H]- 157.077124 130.3
[M+NH4]+ 176.118223 151.9
[M+K]+ 197.047558 134.4
[M+H-H2O]+ 141.081660 124.3
[M+HCOO]- 203.082601 148.6
[M+CH3COO]- 217.098251 143.4
[M+Na-2H]- 179.059066 139.7
[M]+ 158.08385142 127.7
[M]- 158.08494858 127.7
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