CID 11084808

180059-04-5

Structural Information

Molecular Formula
C8H10N2O4
SMILES
COC(=O)C1=CNC(=C1N)C(=O)OC
InChI
InChI=1S/C8H10N2O4/c1-13-7(11)4-3-10-6(5(4)9)8(12)14-2/h3,10H,9H2,1-2H3
InChIKey
VFKYODDQOZLTQL-UHFFFAOYSA-N
Compound name
dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

198.06406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 142.0
[M+Na]+ 221.05328 149.9
[M+NH4]+ 216.09788 147.0
[M+K]+ 237.02722 149.5
[M-H]- 197.05678 140.1
[M+Na-2H]- 219.03873 143.8
[M]+ 198.06351 141.9
[M]- 198.06461 141.9
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