CID 165755584

2803851-88-7

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C)(C)OC(=O)CN1C=CC(=C1)C(=O)O
InChI
InChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-5-4-8(6-12)10(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
WFBKDOMKVKGRGO-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 150.2
[M+Na]+ 248.08933 158.5
[M+NH4]+ 243.13393 155.3
[M+K]+ 264.06327 157.9
[M-H]- 224.09283 147.6
[M+Na-2H]- 246.07478 152.4
[M]+ 225.09956 150.2
[M]- 225.10066 150.2
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

No patent data available for this compound.