CID 146155270

2165430-74-8

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CC(=O)O)OC
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-7-9(17-4)5-8(13)6-10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKey
BXBFBEGTTYTDAT-IUCAKERBSA-N
Compound name
2-[(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.5
[M+Na]+ 282.13119 165.1
[M-H]- 258.13469 160.1
[M+NH4]+ 277.17579 176.3
[M+K]+ 298.10513 165.2
[M+H-H2O]+ 242.13923 154.1
[M+HCOO]- 304.14017 176.0
[M+CH3COO]- 318.15582 192.2
[M+Na-2H]- 280.11664 159.1
[M]+ 259.14142 161.6
[M]- 259.14252 161.6
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.