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]+ 202.15903 146.7
[M+Na]+ 224.14097 153.6
[M-H]- 200.14447 150.0
[M+NH4]+ 219.18557 168.6
[M+K]+ 240.11491 149.3
[M+H-H2O]+ 184.14901 139.9
[M+HCOO]- 246.14995 164.4
[M+CH3COO]- 260.16560 158.8
[M+Na-2H]- 222.12642 151.1
[M]+ 201.15120 143.5
[M]- 201.15230 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.