CID 18173155

253443-11-7

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

119
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 139.5
[M+Na]+ 209.07842 145.9
[M-H]- 185.08192 138.5
[M+NH4]+ 204.12302 158.7
[M+K]+ 225.05236 145.9
[M+H-H2O]+ 169.08646 135.6
[M+HCOO]- 231.08740 158.0
[M+CH3COO]- 245.10305 180.3
[M+Na-2H]- 207.06387 141.9
[M]+ 186.08865 141.2
[M]- 186.08975 141.2
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