CID 57723132

865451-68-9

Structural Information

Molecular Formula
C11H17NO6
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C(=O)O
InChI
InChI=1S/C11H17NO6/c1-11(2,3)18-10(17)12-4-6(8(13)14)7(5-12)9(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-/m0/s1
InChIKey
CEWHNBGJGPXFED-BQBZGAKWSA-N
Compound name
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

259.1056 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.112876 155.8
[M+Na]+ 282.094818 161.4
[M-H]- 258.098324 155.4
[M+NH4]+ 277.139423 171.7
[M+K]+ 298.068758 161.4
[M+H-H2O]+ 242.102860 151.0
[M+HCOO]- 304.103801 170.6
[M+CH3COO]- 318.119451 189.1
[M+Na-2H]- 280.080266 154.6
[M]+ 259.10505142 155.8
[M]- 259.10614858 155.8
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