CID 10489473

183998-36-9

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC1(C=CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-6H,7H2,1-4H3,(H,13,14)
InChIKey
WJYCQYFBOULWQN-UHFFFAOYSA-N
Compound name
5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 150.8
[M+Na]+ 250.10497 158.3
[M+NH4]+ 245.14957 157.3
[M+K]+ 266.07891 156.3
[M-H]- 226.10847 148.0
[M+Na-2H]- 248.09042 153.9
[M]+ 227.11520 150.8
[M]- 227.11630 150.8
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.