CID 68551479

1642125-48-1

Structural Information

Molecular Formula
C9H15NO4
SMILES
CCOC(=O)C1(CNC1)C(=O)OCC
InChI
InChI=1S/C9H15NO4/c1-3-13-7(11)9(5-10-6-9)8(12)14-4-2/h10H,3-6H2,1-2H3
InChIKey
ZRMCEVQIPPFZSA-UHFFFAOYSA-N
Compound name
diethyl azetidine-3,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

201.10011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 146.4
[M+Na]+ 224.08933 150.7
[M-H]- 200.09283 146.8
[M+NH4]+ 219.13393 158.6
[M+K]+ 240.06327 153.6
[M+H-H2O]+ 184.09737 136.1
[M+HCOO]- 246.09831 163.9
[M+CH3COO]- 260.11396 183.7
[M+Na-2H]- 222.07478 149.5
[M]+ 201.09956 156.1
[M]- 201.10066 156.1
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