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

7
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 151.2
[M+Na]+ 254.099888 157.3
[M-H]- 230.103394 150.8
[M+NH4]+ 249.144493 168.4
[M+K]+ 270.073828 156.9
[M+H-H2O]+ 214.107930 146.4
[M+HCOO]- 276.108871 166.8
[M+CH3COO]- 290.124521 183.8
[M+Na-2H]- 252.085336 151.3
[M]+ 231.11012142 150.6
[M]- 231.11121858 150.6
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