CID 2757296

Tert-butyl 1-methyl-4-nitro-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC(C)(C)OC(=O)C1=CC(=CN1C)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O4/c1-10(2,3)16-9(13)8-5-7(12(14)15)6-11(8)4/h5-6H,1-4H3
InChIKey
LUCCDDXLASSKID-UHFFFAOYSA-N
Compound name
tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

226.09535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.6
[M+Na]+ 249.08457 156.6
[M-H]- 225.08807 151.9
[M+NH4]+ 244.12917 167.0
[M+K]+ 265.05851 152.2
[M+H-H2O]+ 209.09261 147.8
[M+HCOO]- 271.09355 171.6
[M+CH3COO]- 285.10920 183.2
[M+Na-2H]- 247.07002 154.5
[M]+ 226.09480 150.3
[M]- 226.09590 150.3
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

patents stripe