CID 162342608

2281913-54-8

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-9(2)13(10(15)16)7-6-8-14(13)11(17)18-12(3,4)5/h9H,6-8H2,1-5H3,(H,15,16)/t13-/m0/s1
InChIKey
TUMBAXMKWXLSFG-ZDUSSCGKSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 160.0
[M+Na]+ 280.151938 165.3
[M-H]- 256.155444 160.6
[M+NH4]+ 275.196543 178.8
[M+K]+ 296.125878 165.3
[M+H-H2O]+ 240.159980 155.9
[M+HCOO]- 302.160921 175.1
[M+CH3COO]- 316.176571 192.2
[M+Na-2H]- 278.137386 160.0
[M]+ 257.16217142 160.5
[M]- 257.16326858 160.5
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

No patent data available for this compound.