CID 120264

1,2,5,6-tetrahydro-4h-pyrrolo(3,2,1-ij)quinoline

Structural Information

Molecular Formula
C11H13N
SMILES
C1CC2=C3C(=CC=C2)CCN3C1
InChI
InChI=1S/C11H13N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1,3-4H,2,5-8H2
InChIKey
ODRMRGQYRJGWTH-UHFFFAOYSA-N
Compound name
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

159.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 132.9
[M+Na]+ 182.09402 140.0
[M-H]- 158.09752 135.6
[M+NH4]+ 177.13862 156.4
[M+K]+ 198.06796 136.7
[M+H-H2O]+ 142.10206 126.4
[M+HCOO]- 204.10300 151.8
[M+CH3COO]- 218.11865 146.0
[M+Na-2H]- 180.07947 140.1
[M]+ 159.10425 130.1
[M]- 159.10535 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe