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

210
Patents

215.07938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08666 145.3
[M+Na]+ 238.06860 151.6
[M-H]- 214.07210 147.4
[M+NH4]+ 233.11320 164.1
[M+K]+ 254.04254 152.5
[M+H-H2O]+ 198.07664 139.3
[M+HCOO]- 260.07758 165.2
[M+CH3COO]- 274.09323 183.5
[M+Na-2H]- 236.05405 145.3
[M]+ 215.07883 146.9
[M]- 215.07993 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