CID 53398095

1824512-71-1

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NC(C)(CC=C)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,15)(H,13,14)
InChIKey
XVMAKOPYGXUPPU-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

229.13141 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.5
[M+Na]+ 252.12063 157.8
[M-H]- 228.12413 151.3
[M+NH4]+ 247.16523 169.8
[M+K]+ 268.09457 157.4
[M+H-H2O]+ 212.12867 148.3
[M+HCOO]- 274.12961 170.8
[M+CH3COO]- 288.14526 190.2
[M+Na-2H]- 250.10608 156.3
[M]+ 229.13086 154.2
[M]- 229.13196 154.2
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