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 173.8
[M-H]- 300.14525 169.4
[M+NH4]+ 319.18635 184.0
[M+K]+ 340.11569 173.9
[M+H-H2O]+ 284.14979 163.5
[M+HCOO]- 346.15073 184.3
[M+CH3COO]- 360.16638 199.7
[M+Na-2H]- 322.12720 166.8
[M]+ 301.15198 171.9
[M]- 301.15308 171.9
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.