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]+ 188.09174 140.2
[M+Na]+ 210.07368 146.3
[M-H]- 186.07718 140.7
[M+NH4]+ 205.11828 161.2
[M+K]+ 226.04762 146.4
[M+H-H2O]+ 170.08172 135.1
[M+HCOO]- 232.08266 159.4
[M+CH3COO]- 246.09831 175.4
[M+Na-2H]- 208.05913 143.1
[M]+ 187.08391 139.4
[M]- 187.08501 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.