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

12
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 147.3
[M+Na]+ 249.08457 157.5
[M+NH4]+ 244.12917 153.2
[M+K]+ 265.05851 158.7
[M-H]- 225.08807 147.2
[M+Na-2H]- 247.07002 150.4
[M]+ 226.09480 148.3
[M]- 226.09590 148.3
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