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

1301
Patents

199.05931 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.066586 138.2
[M+Na]+ 222.048528 145.3
[M-H]- 198.052034 139.4
[M+NH4]+ 217.093133 155.8
[M+K]+ 238.022468 139.8
[M+H-H2O]+ 182.056570 136.4
[M+HCOO]- 244.057511 162.5
[M+CH3COO]- 258.073161 176.7
[M+Na-2H]- 220.033976 143.2
[M]+ 199.05876142 135.7
[M]- 199.05985858 135.7
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