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
7
Annotation Hits

21
References

44668
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 152.4
[M+Na]+ 249.10973 157.6
[M-H]- 225.11323 152.1
[M+NH4]+ 244.15433 170.4
[M+K]+ 265.08367 157.2
[M+H-H2O]+ 209.11777 147.1
[M+HCOO]- 271.11871 172.2
[M+CH3COO]- 285.13436 191.7
[M+Na-2H]- 247.09518 151.6
[M]+ 226.11996 156.3
[M]- 226.12106 156.3
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