CID 145874250

2375247-87-1

Structural Information

Molecular Formula
C9H15NO4
SMILES
COC(=O)C[C@H]1C[C@H](NC1)C(=O)OC
InChI
InChI=1S/C9H15NO4/c1-13-8(11)4-6-3-7(10-5-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
CYVDDDQLANJQEO-RQJHMYQMSA-N
Compound name
methyl (2S,4R)-4-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 144.9
[M+Na]+ 224.08933 150.6
[M-H]- 200.09283 145.3
[M+NH4]+ 219.13393 163.6
[M+K]+ 240.06327 150.2
[M+H-H2O]+ 184.09737 138.9
[M+HCOO]- 246.09831 163.7
[M+CH3COO]- 260.11396 180.1
[M+Na-2H]- 222.07478 145.3
[M]+ 201.09956 144.5
[M]- 201.10066 144.5
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.