CID 5468310

Nsc668363

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)C1/C(=C/CO)/CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO5/c1-14(2,3)20-12(18)11-10(7-8-17)9-16(11)13(19)21-15(4,5)6/h7,11,17H,8-9H2,1-6H3/b10-7+
InChIKey
XCBHIEPYDJILGQ-JXMROGBWSA-N
Compound name
ditert-butyl (3E)-3-(2-hydroxyethylidene)azetidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 173.6
[M+Na]+ 322.16250 177.4
[M-H]- 298.16600 174.1
[M+NH4]+ 317.20710 180.9
[M+K]+ 338.13644 180.0
[M+H-H2O]+ 282.17054 162.9
[M+HCOO]- 344.17148 186.5
[M+CH3COO]- 358.18713 203.4
[M+Na-2H]- 320.14795 173.4
[M]+ 299.17273 185.3
[M]- 299.17383 185.3
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.