CID 65046517

2551120-19-3

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 152.1
[M+Na]+ 246.12532 167.1
[M+NH4]+ 241.16992 162.3
[M+K]+ 262.09926 160.0
[M-H]- 222.12882 157.1
[M+Na-2H]- 244.11077 160.2
[M]+ 223.13555 155.8
[M]- 223.13665 155.8
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.