CID 67386522

1822530-55-1

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC1=CC(N(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h5,8H,6H2,1-4H3,(H,13,14)
InChIKey
HGTSVJSCDNERFE-UHFFFAOYSA-N
Compound name
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

227.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 151.3
[M+Na]+ 250.10497 159.1
[M+NH4]+ 245.14957 156.3
[M+K]+ 266.07891 158.9
[M-H]- 226.10847 148.6
[M+Na-2H]- 248.09042 152.4
[M]+ 227.11520 151.2
[M]- 227.11630 151.2
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