CID 745714

2-benzyl-2,3-dihydro-1h-isoindol-1-imine hydrobromide

Structural Information

Molecular Formula
C15H14N2
SMILES
C1C2=CC=CC=C2C(=N)N1CC3=CC=CC=C3
InChI
InChI=1S/C15H14N2/c16-15-14-9-5-4-8-13(14)11-17(15)10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey
ORHDDLAIQJIRFA-UHFFFAOYSA-N
Compound name
2-benzyl-3H-isoindol-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 148.8
[M+Na]+ 245.10491 156.8
[M-H]- 221.10841 155.2
[M+NH4]+ 240.14951 168.3
[M+K]+ 261.07885 151.3
[M+H-H2O]+ 205.11295 141.0
[M+HCOO]- 267.11389 172.1
[M+CH3COO]- 281.12954 161.6
[M+Na-2H]- 243.09036 154.8
[M]+ 222.11514 146.3
[M]- 222.11624 146.3
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.