CID 145874830

2375274-20-5

Structural Information

Molecular Formula
C8H13NO4
SMILES
COC(=O)C1(CCNC1)C(=O)OC
InChI
InChI=1S/C8H13NO4/c1-12-6(10)8(7(11)13-2)3-4-9-5-8/h9H,3-5H2,1-2H3
InChIKey
JBSFYFLUQBZDQQ-UHFFFAOYSA-N
Compound name
dimethyl pyrrolidine-3,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 140.2
[M+Na]+ 210.073678 146.3
[M-H]- 186.077184 140.7
[M+NH4]+ 205.118283 161.2
[M+K]+ 226.047618 146.4
[M+H-H2O]+ 170.081720 135.1
[M+HCOO]- 232.082661 159.4
[M+CH3COO]- 246.098311 175.4
[M+Na-2H]- 208.059126 143.1
[M]+ 187.08391142 139.4
[M]- 187.08500858 139.4
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.