CID 12637823

1085699-23-5

Structural Information

Molecular Formula
C8H14O3
SMILES
CCO/C=C(\C)/C(=O)OCC
InChI
InChI=1S/C8H14O3/c1-4-10-6-7(3)8(9)11-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey
WZCHIWJCAAITIC-VOTSOKGWSA-N
Compound name
ethyl (E)-3-ethoxy-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

158.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.7
[M+Na]+ 181.08352 141.4
[M-H]- 157.08702 134.9
[M+NH4]+ 176.12812 155.7
[M+K]+ 197.05746 141.8
[M+H-H2O]+ 141.09156 129.9
[M+HCOO]- 203.09250 157.1
[M+CH3COO]- 217.10815 177.7
[M+Na-2H]- 179.06897 138.3
[M]+ 158.09375 138.3
[M]- 158.09485 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe