CID 5468312

Nsc668365

Structural Information

Molecular Formula
C15H25NO4
SMILES
C/C=C/1\CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO4/c1-8-10-9-16(13(18)20-15(5,6)7)11(10)12(17)19-14(2,3)4/h8,11H,9H2,1-7H3/b10-8+
InChIKey
NVICUNQITDSULT-CSKARUKUSA-N
Compound name
ditert-butyl (3E)-3-ethylideneazetidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 169.4
[M+Na]+ 306.167558 174.0
[M-H]- 282.171064 171.4
[M+NH4]+ 301.212163 178.3
[M+K]+ 322.141498 176.7
[M+H-H2O]+ 266.175600 158.9
[M+HCOO]- 328.176541 183.7
[M+CH3COO]- 342.192191 203.8
[M+Na-2H]- 304.153006 169.6
[M]+ 283.17779142 181.7
[M]- 283.17888858 181.7
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.