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

35
Patents

206.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 142.7
[M+Na]+ 229.05836 149.4
[M-H]- 205.06186 148.3
[M+NH4]+ 224.10296 160.9
[M+K]+ 245.03230 143.2
[M+H-H2O]+ 189.06640 140.1
[M+HCOO]- 251.06734 166.5
[M+CH3COO]- 265.08299 177.9
[M+Na-2H]- 227.04381 148.4
[M]+ 206.06859 138.9
[M]- 206.06969 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