CID 132264901

Schembl19752761

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NCCC(=C)C(=O)OC
InChI
InChI=1S/C11H19NO4/c1-8(9(13)15-5)6-7-12-10(14)16-11(2,3)4/h1,6-7H2,2-5H3,(H,12,14)
InChIKey
VNAGVAKJORHYTR-UHFFFAOYSA-N
Compound name
methyl 2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.4
[M+Na]+ 252.12063 158.5
[M-H]- 228.12413 153.5
[M+NH4]+ 247.16523 171.3
[M+K]+ 268.09457 159.0
[M+H-H2O]+ 212.12867 148.3
[M+HCOO]- 274.12961 173.8
[M+CH3COO]- 288.14526 192.5
[M+Na-2H]- 250.10608 155.4
[M]+ 229.13086 156.8
[M]- 229.13196 156.8
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