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]+ 258.17000 160.8
[M+Na]+ 280.15194 166.3
[M-H]- 256.15544 161.2
[M+NH4]+ 275.19654 179.6
[M+K]+ 296.12588 165.7
[M+H-H2O]+ 240.15998 156.4
[M+HCOO]- 302.16092 176.8
[M+CH3COO]- 316.17657 191.3
[M+Na-2H]- 278.13739 161.8
[M]+ 257.16217 161.8
[M]- 257.16327 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.