CID 10845591

128372-91-8

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC1C=CC(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H15NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h5-7H,1-4H3
InChIKey
ZQUJUMROTWQJDY-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-5-oxo-2H-pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

197.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 142.7
[M+Na]+ 220.09442 151.4
[M-H]- 196.09792 145.6
[M+NH4]+ 215.13902 163.2
[M+K]+ 236.06836 150.9
[M+H-H2O]+ 180.10246 137.7
[M+HCOO]- 242.10340 163.5
[M+CH3COO]- 256.11905 183.2
[M+Na-2H]- 218.07987 145.6
[M]+ 197.10465 145.2
[M]- 197.10575 145.2
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