CID 65046517

1-(2,3-dimethylphenyl)-2,3-dihydro-1h-isoindole hydrochloride

Structural Information

Molecular Formula
C16H17N
SMILES
CC1=C(C(=CC=C1)C2C3=CC=CC=C3CN2)C
InChI
InChI=1S/C16H17N/c1-11-6-5-9-14(12(11)2)16-15-8-4-3-7-13(15)10-17-16/h3-9,16-17H,10H2,1-2H3
InChIKey
ULZFAFYIZULWJA-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 151.5
[M+Na]+ 246.12532 160.1
[M-H]- 222.12882 156.8
[M+NH4]+ 241.16992 171.0
[M+K]+ 262.09926 154.2
[M+H-H2O]+ 206.13336 144.4
[M+HCOO]- 268.13430 171.7
[M+CH3COO]- 282.14995 164.0
[M+Na-2H]- 244.11077 155.2
[M]+ 223.13555 149.3
[M]- 223.13665 149.3
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.