CID 70613

1,4-butanediol diacrylate

Structural Information

Molecular Formula
C10H14O4
SMILES
C=CC(=O)OCCCCOC(=O)C=C
InChI
InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
InChIKey
JHWGFJBTMHEZME-UHFFFAOYSA-N
Compound name
4-prop-2-enoyloxybutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

58194
Patents

198.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 143.3
[M+Na]+ 221.078418 149.7
[M-H]- 197.081924 143.2
[M+NH4]+ 216.123023 162.5
[M+K]+ 237.052358 148.9
[M+H-H2O]+ 181.086460 138.1
[M+HCOO]- 243.087401 165.7
[M+CH3COO]- 257.103051 183.9
[M+Na-2H]- 219.063866 146.0
[M]+ 198.08865142 147.7
[M]- 198.08974858 147.7
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