CID 2812275

2-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]acetonitrile

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1CC(=O)N(C1=O)C2=CC=C(C=C2)CC#N
InChI
InChI=1S/C12H10N2O2/c13-8-7-9-1-3-10(4-2-9)14-11(15)5-6-12(14)16/h1-4H,5-7H2
InChIKey
USBFWFQGWQKLSS-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07423 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 146.4
[M+Na]+ 237.06345 157.1
[M-H]- 213.06695 150.8
[M+NH4]+ 232.10805 163.4
[M+K]+ 253.03739 152.1
[M+H-H2O]+ 197.07149 132.6
[M+HCOO]- 259.07243 165.1
[M+CH3COO]- 273.08808 197.9
[M+Na-2H]- 235.04890 148.7
[M]+ 214.07368 140.6
[M]- 214.07478 140.6
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.