CID 345881

3842-20-4

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC#N
InChI
InChI=1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2
InChIKey
KJTIDLYAIIARFO-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

83
Patents

186.04292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05020 140.2
[M+Na]+ 209.03214 152.1
[M+NH4]+ 204.07674 144.8
[M+K]+ 225.00608 144.5
[M-H]- 185.03564 133.8
[M+Na-2H]- 207.01759 142.4
[M]+ 186.04237 139.1
[M]- 186.04347 139.1
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