CID 79422876

1522279-23-7

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2CCOCC2)C(=O)O
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-7-6-15(10-16,12(17)18)11-4-8-20-9-5-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
MGGQHVATEQJHGP-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(oxan-4-yl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 169.3
[M+Na]+ 322.16250 175.1
[M+NH4]+ 317.20710 175.4
[M+K]+ 338.13644 173.4
[M-H]- 298.16600 169.2
[M+Na-2H]- 320.14795 171.2
[M]+ 299.17273 169.7
[M]- 299.17383 169.7
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.