CID 44607706

1904122-48-0

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-4-6(8(13)14)7(12)5-11/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey
ZJPHKRGPEONGMA-BQBZGAKWSA-N
Compound name
(3S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 151.3
[M+Na]+ 254.09989 157.2
[M+NH4]+ 249.14449 155.4
[M+K]+ 270.07383 158.3
[M-H]- 230.10339 147.3
[M+Na-2H]- 252.08534 150.7
[M]+ 231.11012 150.3
[M]- 231.11122 150.3
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