CID 16387

1,4-butanediol dimethacrylate

Structural Information

Molecular Formula
C12H18O4
SMILES
CC(=C)C(=O)OCCCCOC(=O)C(=C)C
InChI
InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
InChIKey
XOJWAAUYNWGQAU-UHFFFAOYSA-N
Compound name
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

40838
Patents

226.12051 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 153.6
[M+Na]+ 249.10973 160.9
[M+NH4]+ 244.15433 158.1
[M+K]+ 265.08367 157.6
[M-H]- 225.11323 150.0
[M+Na-2H]- 247.09518 153.4
[M]+ 226.11996 153.0
[M]- 226.12106 153.0
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