CID 58748331

913744-63-5

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)OC)C2CC2
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-10(9-5-6-9)11(8-15)12(16)18-4/h9-11H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKey
UJFBKQAYFROGQA-MNOVXSKESA-N
Compound name
1-O-tert-butyl 3-O-methyl (3R,4R)-4-cyclopropylpyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 164.7
[M+Na]+ 292.151938 172.1
[M-H]- 268.155444 170.6
[M+NH4]+ 287.196543 177.2
[M+K]+ 308.125878 169.9
[M+H-H2O]+ 252.159980 158.8
[M+HCOO]- 314.160921 182.1
[M+CH3COO]- 328.176571 199.0
[M+Na-2H]- 290.137386 164.0
[M]+ 269.16217142 169.1
[M]- 269.16326858 169.1
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