CID 71302101

1-[(tert-butoxy)carbonyl]-2-ethylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCC1(CCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-5-12(9(14)15)7-6-8-13(12)10(16)17-11(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKey
KMOZPCFILJMJNU-UHFFFAOYSA-N
Compound name
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.5
[M+Na]+ 266.13628 162.9
[M+NH4]+ 261.18088 162.7
[M+K]+ 282.11022 160.8
[M-H]- 242.13978 153.5
[M+Na-2H]- 264.12173 158.4
[M]+ 243.14651 156.2
[M]- 243.14761 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.