CID 137951746

2193052-05-8

Structural Information

Molecular Formula
C13H23NO4
SMILES
C[C@]1(CCCN1C(=O)OC(C)(C)C)CCC(=O)O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9-5-7-13(14,4)8-6-10(15)16/h5-9H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKey
YNMJDYNTRQKGFA-ZDUSSCGKSA-N
Compound name
3-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 160.8
[M+Na]+ 280.151938 166.3
[M-H]- 256.155444 161.2
[M+NH4]+ 275.196543 179.6
[M+K]+ 296.125878 165.7
[M+H-H2O]+ 240.159980 156.4
[M+HCOO]- 302.160921 176.8
[M+CH3COO]- 316.176571 191.3
[M+Na-2H]- 278.137386 161.8
[M]+ 257.16217142 161.8
[M]- 257.16326858 161.8
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.