CID 1512870

1-(3-nitrophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CC(=O)N(C1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O3/c13-10-5-2-6-11(10)8-3-1-4-9(7-8)12(14)15/h1,3-4,7H,2,5-6H2
InChIKey
XCCSTAQTJIWEDH-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

206.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 142.7
[M+Na]+ 229.058358 149.4
[M-H]- 205.061864 148.3
[M+NH4]+ 224.102963 160.9
[M+K]+ 245.032298 143.2
[M+H-H2O]+ 189.066400 140.1
[M+HCOO]- 251.067341 166.5
[M+CH3COO]- 265.082991 177.9
[M+Na-2H]- 227.043806 148.4
[M]+ 206.06859142 138.9
[M]- 206.06968858 138.9
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

patents stripe