CID 18672431

361442-24-2

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCC1CCN(C1C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-5-8-6-7-13(9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
XLDQNKSCLODJJQ-UHFFFAOYSA-N
Compound name
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.9
[M+Na]+ 266.13628 163.5
[M+NH4]+ 261.18088 161.7
[M+K]+ 282.11022 163.3
[M-H]- 242.13978 153.9
[M+Na-2H]- 264.12173 156.9
[M]+ 243.14651 156.5
[M]- 243.14761 156.5
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