CID 122490031

1984825-82-2

Structural Information

Molecular Formula
C11H19NO5
SMILES
C[C@H]1[C@H](C[C@H](N1C(=O)OC(C)(C)C)C(=O)O)O
InChI
InChI=1S/C11H19NO5/c1-6-8(13)5-7(9(14)15)12(6)10(16)17-11(2,3)4/h6-8,13H,5H2,1-4H3,(H,14,15)/t6-,7-,8-/m0/s1
InChIKey
WLSGCMWXNNWCNP-FXQIFTODSA-N
Compound name
(2S,4S,5S)-4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

245.12633 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.7
[M+Na]+ 268.11555 161.3
[M-H]- 244.11905 154.6
[M+NH4]+ 263.16015 171.7
[M+K]+ 284.08949 160.8
[M+H-H2O]+ 228.12359 150.2
[M+HCOO]- 290.12453 170.0
[M+CH3COO]- 304.14018 188.1
[M+Na-2H]- 266.10100 153.8
[M]+ 245.12578 155.0
[M]- 245.12688 155.0
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

patents stripe