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]+ 223.122966 148.8
[M+Na]+ 245.104908 156.8
[M-H]- 221.108414 155.2
[M+NH4]+ 240.149513 168.3
[M+K]+ 261.078848 151.3
[M+H-H2O]+ 205.112950 141.0
[M+HCOO]- 267.113891 172.1
[M+CH3COO]- 281.129541 161.6
[M+Na-2H]- 243.090356 154.8
[M]+ 222.11514142 146.3
[M]- 222.11623858 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.