CID 57723132

Rac-(3r,4r)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid

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

31
Patents

259.1056 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11288 155.8
[M+Na]+ 282.09482 161.4
[M-H]- 258.09832 155.4
[M+NH4]+ 277.13942 171.7
[M+K]+ 298.06876 161.4
[M+H-H2O]+ 242.10286 151.0
[M+HCOO]- 304.10380 170.6
[M+CH3COO]- 318.11945 189.1
[M+Na-2H]- 280.08027 154.6
[M]+ 259.10505 155.8
[M]- 259.10615 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