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]+ 248.10297 154.3
[M+Na]+ 270.08491 158.6
[M-H]- 246.08841 160.5
[M+NH4]+ 265.12951 170.7
[M+K]+ 286.05885 152.6
[M+H-H2O]+ 230.09295 150.4
[M+HCOO]- 292.09389 179.0
[M+CH3COO]- 306.10954 189.5
[M+Na-2H]- 268.07036 159.4
[M]+ 247.09514 150.4
[M]- 247.09624 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.