CID 53414778

100038-68-4

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)NC(C=C)C(=O)OC
InChI
InChI=1S/C10H17NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h6-7H,1H2,2-5H3,(H,11,13)
InChIKey
OCLGYEARXGFDHM-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 148.7
[M+Na]+ 238.104968 154.3
[M-H]- 214.108474 148.9
[M+NH4]+ 233.149573 167.2
[M+K]+ 254.078908 155.0
[M+H-H2O]+ 198.113010 143.8
[M+HCOO]- 260.113951 169.4
[M+CH3COO]- 274.129601 189.5
[M+Na-2H]- 236.090416 151.2
[M]+ 215.11520142 151.7
[M]- 215.11629858 151.7
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

patents stripe