CID 116590

64346-47-0

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(=CC(=O)OC)NC(=O)NC(C)(C)C
InChI
InChI=1S/C10H18N2O3/c1-7(6-8(13)15-5)11-9(14)12-10(2,3)4/h6H,1-5H3,(H2,11,12,14)
InChIKey
UXOROTUGAADVMK-UHFFFAOYSA-N
Compound name
methyl 3-(tert-butylcarbamoylamino)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 151.3
[M+Na]+ 237.12096 156.9
[M+NH4]+ 232.16556 155.8
[M+K]+ 253.09490 154.8
[M-H]- 213.12446 148.5
[M+Na-2H]- 235.10641 151.7
[M]+ 214.13119 150.6
[M]- 214.13229 150.6
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.