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]+ 224.143376 151.5
[M+Na]+ 246.125318 160.1
[M-H]- 222.128824 156.8
[M+NH4]+ 241.169923 171.0
[M+K]+ 262.099258 154.2
[M+H-H2O]+ 206.133360 144.4
[M+HCOO]- 268.134301 171.7
[M+CH3COO]- 282.149951 164.0
[M+Na-2H]- 244.110766 155.2
[M]+ 223.13555142 149.3
[M]- 223.13664858 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.