CID 101007542

439612-05-2

Structural Information

Molecular Formula
C15H25NO6
SMILES
C/C=C(\C(=O)OC)/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO6/c1-9-10(11(17)20-8)16(12(18)21-14(2,3)4)13(19)22-15(5,6)7/h9H,1-8H3/b10-9+
InChIKey
OXVBSFZBUXBVQJ-MDZDMXLPSA-N
Compound name
methyl (E)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16818 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17546 170.2
[M+Na]+ 338.15740 174.7
[M-H]- 314.16090 171.7
[M+NH4]+ 333.20200 194.8
[M+K]+ 354.13134 177.4
[M+H-H2O]+ 298.16544 165.5
[M+HCOO]- 360.16638 191.9
[M+CH3COO]- 374.18203 209.8
[M+Na-2H]- 336.14285 170.6
[M]+ 315.16763 177.4
[M]- 315.16873 177.4
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.