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]+ 215.081506 146.4
[M+Na]+ 237.063448 157.1
[M-H]- 213.066954 150.8
[M+NH4]+ 232.108053 163.4
[M+K]+ 253.037388 152.1
[M+H-H2O]+ 197.071490 132.6
[M+HCOO]- 259.072431 165.1
[M+CH3COO]- 273.088081 197.9
[M+Na-2H]- 235.048896 148.7
[M]+ 214.07368142 140.6
[M]- 214.07477858 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.