CID 6504399

Ns00057770

Structural Information

Molecular Formula
C6H8O4
SMILES
CC(=O)O/C=C/C(=O)OC
InChI
InChI=1S/C6H8O4/c1-5(7)10-4-3-6(8)9-2/h3-4H,1-2H3/b4-3+
InChIKey
MSQPGECJSAMXBT-ONEGZZNKSA-N
Compound name
methyl (E)-3-acetyloxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 126.4
[M+Na]+ 167.031468 134.3
[M-H]- 143.034974 127.0
[M+NH4]+ 162.076073 148.0
[M+K]+ 183.005408 135.1
[M+H-H2O]+ 127.039510 121.9
[M+HCOO]- 189.040451 149.9
[M+CH3COO]- 203.056101 172.0
[M+Na-2H]- 165.016916 131.2
[M]+ 144.04170142 130.0
[M]- 144.04279858 130.0
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