CID 18386436

2-propenoic acid, 2-methyl-, 1,3-dioxan-5-yl ester

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(=C)C(=O)OC1COCOC1
InChI
InChI=1S/C8H12O4/c1-6(2)8(9)12-7-3-10-5-11-4-7/h7H,1,3-5H2,2H3
InChIKey
MKWLYHVMTQWQHI-UHFFFAOYSA-N
Compound name
1,3-dioxan-5-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

172.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 135.6
[M+Na]+ 195.062778 140.5
[M-H]- 171.066284 139.8
[M+NH4]+ 190.107383 152.8
[M+K]+ 211.036718 143.1
[M+H-H2O]+ 155.070820 130.0
[M+HCOO]- 217.071761 153.7
[M+CH3COO]- 231.087411 177.1
[M+Na-2H]- 193.048226 141.0
[M]+ 172.07301142 135.2
[M]- 172.07410858 135.2
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