CID 74645

N-aminophthalimide

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)N
InChI
InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
InChIKey
KSILMCDYDAKOJD-UHFFFAOYSA-N
Compound name
2-aminoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

1597
Patents

162.04292 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 128.9
[M+Na]+ 185.03214 139.6
[M-H]- 161.03564 132.7
[M+NH4]+ 180.07674 151.2
[M+K]+ 201.00608 136.8
[M+H-H2O]+ 145.04018 123.3
[M+HCOO]- 207.04112 153.0
[M+CH3COO]- 221.05677 178.6
[M+Na-2H]- 183.01759 134.8
[M]+ 162.04237 128.1
[M]- 162.04347 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe