CID 69239964

1-[2-(tert-butoxy)-2-oxoethyl]-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C)(C)OC(=O)CN1C=CC=C1C(=O)O
InChI
InChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-6-4-5-8(12)10(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
FDHJVIGMEHIAIK-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 149.9
[M+Na]+ 248.08933 157.2
[M-H]- 224.09283 151.2
[M+NH4]+ 243.13393 168.0
[M+K]+ 264.06327 156.5
[M+H-H2O]+ 208.09737 144.4
[M+HCOO]- 270.09831 169.5
[M+CH3COO]- 284.11396 185.6
[M+Na-2H]- 246.07478 152.3
[M]+ 225.09956 152.7
[M]- 225.10066 152.7
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