CID 160655

2854-09-3

Structural Information

Molecular Formula
C7H9N3O4
SMILES
C1=C(N(C(=C1)[N+](=O)[O-])CCO)C(=O)N
InChI
InChI=1S/C7H9N3O4/c8-7(12)5-1-2-6(10(13)14)9(5)3-4-11/h1-2,11H,3-4H2,(H2,8,12)
InChIKey
RFQOPUYDLCMQCE-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-5-nitropyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

5
Patents

199.05931 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 138.9
[M+Na]+ 222.04853 147.8
[M+NH4]+ 217.09313 144.4
[M+K]+ 238.02247 149.5
[M-H]- 198.05203 139.1
[M+Na-2H]- 220.03398 141.4
[M]+ 199.05876 139.5
[M]- 199.05986 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe