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

8
Patents

245.12633 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 154.7
[M+Na]+ 268.115548 161.3
[M-H]- 244.119054 154.6
[M+NH4]+ 263.160153 171.7
[M+K]+ 284.089488 160.8
[M+H-H2O]+ 228.123590 150.2
[M+HCOO]- 290.124531 170.0
[M+CH3COO]- 304.140181 188.1
[M+Na-2H]- 266.100996 153.8
[M]+ 245.12578142 155.0
[M]- 245.12687858 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