CID 132264901

Methyl 4-{[(tert-butoxy)carbonyl]amino}-2-methylidenebutanoate

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]+ 230.138686 153.4
[M+Na]+ 252.120628 158.5
[M-H]- 228.124134 153.5
[M+NH4]+ 247.165233 171.3
[M+K]+ 268.094568 159.0
[M+H-H2O]+ 212.128670 148.3
[M+HCOO]- 274.129611 173.8
[M+CH3COO]- 288.145261 192.5
[M+Na-2H]- 250.106076 155.4
[M]+ 229.13086142 156.8
[M]- 229.13195858 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