CID 7019799

16881-39-3

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3/t14-/m0/s1
InChIKey
OULMZZGGALAOLR-AWEZNQCLSA-N
Compound name
1-O-benzyl 2-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

305.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 173.4
[M+Na]+ 328.151938 177.8
[M-H]- 304.155444 178.1
[M+NH4]+ 323.196543 188.5
[M+K]+ 344.125878 176.4
[M+H-H2O]+ 288.159980 165.9
[M+HCOO]- 350.160921 191.1
[M+CH3COO]- 364.176571 201.2
[M+Na-2H]- 326.137386 173.5
[M]+ 305.16217142 174.7
[M]- 305.16326858 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe