CID 108268

Cis-3a,4,5,9b-tetrahydrobenzo(e)isoindoline hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2=C(C=C1)C=CC3C2CNC3
InChI
InChI=1S/C12H15N/c1-2-4-11-9(3-1)5-6-10-7-13-8-12(10)11/h1,3,5-6,10,12-13H,2,4,7-8H2
InChIKey
FKUSPZRYGCBHBI-UHFFFAOYSA-N
Compound name
2,3,3a,8,9,9b-hexahydro-1H-benzo[e]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.4
[M+Na]+ 196.10967 143.8
[M-H]- 172.11317 139.2
[M+NH4]+ 191.15427 159.4
[M+K]+ 212.08361 139.2
[M+H-H2O]+ 156.11771 131.0
[M+HCOO]- 218.11865 154.3
[M+CH3COO]- 232.13430 149.3
[M+Na-2H]- 194.09512 143.2
[M]+ 173.11990 131.3
[M]- 173.12100 131.3
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

No patent data available for this compound.