CID 9570408

25555-23-1

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C1CCN(C1)/N=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O3/c16-12(9-13-14-7-1-2-8-14)10-3-5-11(6-4-10)15(17)18/h3-6,9H,1-2,7-8H2/b13-9+
InChIKey
MMISGYGYGXBMMS-UKTHLTGXSA-N
Compound name
(2E)-1-(4-nitrophenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 154.3
[M+Na]+ 270.084908 158.6
[M-H]- 246.088414 160.5
[M+NH4]+ 265.129513 170.7
[M+K]+ 286.058848 152.6
[M+H-H2O]+ 230.092950 150.4
[M+HCOO]- 292.093891 179.0
[M+CH3COO]- 306.109541 189.5
[M+Na-2H]- 268.070356 159.4
[M]+ 247.09514142 150.4
[M]- 247.09623858 150.4
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.