CID 155743

Allyl-alpha-allyloxycarbonyloxyacrylate

Structural Information

Molecular Formula
C10H12O5
SMILES
C=CCOC(=O)C(=C)OC(=O)OCC=C
InChI
InChI=1S/C10H12O5/c1-4-6-13-9(11)8(3)15-10(12)14-7-5-2/h4-5H,1-3,6-7H2
InChIKey
KAXRAOCFCSJAGT-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-prop-2-enoxycarbonyloxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

212.06847 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 144.2
[M+Na]+ 235.05769 150.7
[M-H]- 211.06119 144.2
[M+NH4]+ 230.10229 162.7
[M+K]+ 251.03163 150.3
[M+H-H2O]+ 195.06573 139.1
[M+HCOO]- 257.06667 166.1
[M+CH3COO]- 271.08232 185.3
[M+Na-2H]- 233.04314 145.9
[M]+ 212.06792 148.7
[M]- 212.06902 148.7
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