CID 29635

1,3-butanediol diacrylate

Structural Information

Molecular Formula
C10H14O4
SMILES
CC(CCOC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C10H14O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKey
FQMIAEWUVYWVNB-UHFFFAOYSA-N
Compound name
3-prop-2-enoyloxybutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

24669
Patents

198.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 143.3
[M+Na]+ 221.078418 149.5
[M-H]- 197.081924 143.2
[M+NH4]+ 216.123023 162.4
[M+K]+ 237.052358 149.1
[M+H-H2O]+ 181.086460 138.2
[M+HCOO]- 243.087401 164.7
[M+CH3COO]- 257.103051 184.8
[M+Na-2H]- 219.063866 144.8
[M]+ 198.08865142 147.1
[M]- 198.08974858 147.1
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