CID 71755801

3-ethoxy-4-methylpent-4-enoic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(CC(=O)O)C(=C)C
InChI
InChI=1S/C8H14O3/c1-4-11-7(6(2)3)5-8(9)10/h7H,2,4-5H2,1,3H3,(H,9,10)
InChIKey
QUCGYSXIZNECFI-UHFFFAOYSA-N
Compound name
3-ethoxy-4-methylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 135.2
[M+Na]+ 181.08352 141.1
[M-H]- 157.08702 134.0
[M+NH4]+ 176.12812 155.3
[M+K]+ 197.05746 141.1
[M+H-H2O]+ 141.09156 130.7
[M+HCOO]- 203.09250 155.1
[M+CH3COO]- 217.10815 177.2
[M+Na-2H]- 179.06897 137.0
[M]+ 158.09375 136.4
[M]- 158.09485 136.4
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

No patent data available for this compound.