CID 130761538

1034128-41-0

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CC(=O)O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-6-8(13)4-7(12)5-9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKey
ODADLSCORSWAER-JGVFFNPUSA-N
Compound name
2-[(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.12633 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 155.8
[M+Na]+ 268.115548 161.4
[M-H]- 244.119054 155.2
[M+NH4]+ 263.160153 172.4
[M+K]+ 284.089488 160.8
[M+H-H2O]+ 228.123590 150.8
[M+HCOO]- 290.124531 171.1
[M+CH3COO]- 304.140181 186.8
[M+Na-2H]- 266.100996 155.3
[M]+ 245.12578142 155.6
[M]- 245.12687858 155.6
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

patents stripe