CID 90486410

462101-57-1

Structural Information

Molecular Formula
C16H23NO7
SMILES
CC1(OC(=O)C(=C([C@@H]2CCCN2C(=O)OC(C)(C)C)O)C(=O)O1)C
InChI
InChI=1S/C16H23NO7/c1-15(2,3)24-14(21)17-8-6-7-9(17)11(18)10-12(19)22-16(4,5)23-13(10)20/h9,18H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
ZJSJHUOTGUHRSL-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-hydroxymethyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14746 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15474 173.8
[M+Na]+ 364.13668 179.3
[M-H]- 340.14018 178.9
[M+NH4]+ 359.18128 186.5
[M+K]+ 380.11062 180.7
[M+H-H2O]+ 324.14472 169.6
[M+HCOO]- 386.14566 185.1
[M+CH3COO]- 400.16131 206.5
[M+Na-2H]- 362.12213 173.9
[M]+ 341.14691 174.8
[M]- 341.14801 174.8
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.