CID 108281

Cis-2-ethyl-3a,4,5,9b-tetrahydrobenzo(e)isoindoline hydrochloride

Structural Information

Molecular Formula
C14H19N
SMILES
CCN1CC2C=CC3=C(C2C1)CCC=C3
InChI
InChI=1S/C14H19N/c1-2-15-9-12-8-7-11-5-3-4-6-13(11)14(12)10-15/h3,5,7-8,12,14H,2,4,6,9-10H2,1H3
InChIKey
OUCIEZAARNIIAN-UHFFFAOYSA-N
Compound name
2-ethyl-1,3,3a,8,9,9b-hexahydrobenzo[e]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 146.7
[M+Na]+ 224.140968 153.6
[M-H]- 200.144474 150.0
[M+NH4]+ 219.185573 168.6
[M+K]+ 240.114908 149.3
[M+H-H2O]+ 184.149010 139.9
[M+HCOO]- 246.149951 164.4
[M+CH3COO]- 260.165601 158.8
[M+Na-2H]- 222.126416 151.1
[M]+ 201.15120142 143.5
[M]- 201.15229858 143.5
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.