CID 122155754

1,3-bis[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C15H25NO6
SMILES
CC(C)(C)OC(=O)C1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H25NO6/c1-13(2,3)21-11(19)15(10(17)18)7-8-16(9-15)12(20)22-14(4,5)6/h7-9H2,1-6H3,(H,17,18)
InChIKey
FKLBGTXGWABOML-UHFFFAOYSA-N
Compound name
1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16818 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17546 170.6
[M+Na]+ 338.15740 175.5
[M-H]- 314.16090 171.2
[M+NH4]+ 333.20200 187.1
[M+K]+ 354.13134 176.5
[M+H-H2O]+ 298.16544 167.2
[M+HCOO]- 360.16638 184.2
[M+CH3COO]- 374.18203 200.7
[M+Na-2H]- 336.14285 171.9
[M]+ 315.16763 173.5
[M]- 315.16873 173.5
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

No patent data available for this compound.