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]+ 284.18562 169.4
[M+Na]+ 306.16756 174.0
[M-H]- 282.17106 171.4
[M+NH4]+ 301.21216 178.3
[M+K]+ 322.14150 176.7
[M+H-H2O]+ 266.17560 158.9
[M+HCOO]- 328.17654 183.7
[M+CH3COO]- 342.19219 203.8
[M+Na-2H]- 304.15301 169.6
[M]+ 283.17779 181.7
[M]- 283.17889 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.