CID 18173155

3-(tert-butylcarboxy)but-3-enoicacid

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)(C)OC(=O)C(=C)CC(=O)O
InChI
InChI=1S/C9H14O4/c1-6(5-7(10)11)8(12)13-9(2,3)4/h1,5H2,2-4H3,(H,10,11)
InChIKey
GGLBOGJDDIJGCW-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

186.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 141.3
[M+Na]+ 209.07842 148.7
[M+NH4]+ 204.12302 146.2
[M+K]+ 225.05236 147.0
[M-H]- 185.08192 137.2
[M+Na-2H]- 207.06387 141.7
[M]+ 186.08865 140.7
[M]- 186.08975 140.7
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