CID 10921878

139419-63-9

Structural Information

Molecular Formula
C9H13NO5
SMILES
COC(=O)[C@@H]1CCCN1C(=O)C(=O)OC
InChI
InChI=1S/C9H13NO5/c1-14-8(12)6-4-3-5-10(6)7(11)9(13)15-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
WLWORZVYEMZTCS-LURJTMIESA-N
Compound name
methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

215.07938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.086656 145.3
[M+Na]+ 238.068598 151.6
[M-H]- 214.072104 147.4
[M+NH4]+ 233.113203 164.1
[M+K]+ 254.042538 152.5
[M+H-H2O]+ 198.076640 139.3
[M+HCOO]- 260.077581 165.2
[M+CH3COO]- 274.093231 183.5
[M+Na-2H]- 236.054046 145.3
[M]+ 215.07883142 146.9
[M]- 215.07992858 146.9
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

patents stripe