CID 165996802

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

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(C#C)C(=O)O
InChI
InChI=1S/C12H17NO4/c1-5-12(9(14)15)7-6-8-13(12)10(16)17-11(2,3)4/h1H,6-8H2,2-4H3,(H,14,15)/t12-/m1/s1
InChIKey
JEQYARSZYUSJFV-GFCCVEGCSA-N
Compound name
(2S)-2-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 149.8
[M+Na]+ 262.10497 156.7
[M+NH4]+ 257.14957 152.6
[M+K]+ 278.07891 151.6
[M-H]- 238.10847 139.1
[M+Na-2H]- 260.09042 149.5
[M]+ 239.11520 146.6
[M]- 239.11630 146.6
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.