CID 137698915

1822533-03-8

Structural Information

Molecular Formula
C14H23NO6
SMILES
CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)CCC(=O)O
InChI
InChI=1S/C14H23NO6/c1-14(2,3)21-13(19)15-8-9(5-6-11(16)17)7-10(15)12(18)20-4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKey
NMFRPSRYHGETSC-UHFFFAOYSA-N
Compound name
3-[5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15253 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15981 169.0
[M+Na]+ 324.14175 173.9
[M+NH4]+ 319.18635 171.8
[M+K]+ 340.11569 175.2
[M-H]- 300.14525 164.4
[M+Na-2H]- 322.12720 167.3
[M]+ 301.15198 167.7
[M]- 301.15308 167.7
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.