CID 2759930

13138-76-6

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CN1C=C(C=C1C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O4/c1-8-4-5(9(11)12)3-6(8)7(10)13-2/h3-4H,1-2H3
InChIKey
SEOKAHOXOYKYKS-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4-nitropyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

184.0484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 135.2
[M+Na]+ 207.03762 143.9
[M-H]- 183.04112 138.4
[M+NH4]+ 202.08222 154.9
[M+K]+ 223.01156 139.7
[M+H-H2O]+ 167.04566 133.9
[M+HCOO]- 229.04660 160.6
[M+CH3COO]- 243.06225 174.6
[M+Na-2H]- 205.02307 141.1
[M]+ 184.04785 136.3
[M]- 184.04895 136.3
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