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

10
Patents

158.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 130.7
[M+Na]+ 181.07362 139.8
[M-H]- 157.07712 130.3
[M+NH4]+ 176.11822 151.9
[M+K]+ 197.04756 134.4
[M+H-H2O]+ 141.08166 124.3
[M+HCOO]- 203.08260 148.6
[M+CH3COO]- 217.09825 143.4
[M+Na-2H]- 179.05907 139.7
[M]+ 158.08385 127.7
[M]- 158.08495 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