CID 106047

2-butyne-1,4-diol dimethacrylate

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=C)C(=O)OCC#CCOC(=O)C(=C)C
InChI
InChI=1S/C12H14O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,7-8H2,2,4H3
InChIKey
LFWWWRPUVDIHKC-UHFFFAOYSA-N
Compound name
4-(2-methylprop-2-enoyloxy)but-2-ynyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

222.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 150.2
[M+Na]+ 245.078418 158.1
[M-H]- 221.081924 149.6
[M+NH4]+ 240.123023 166.5
[M+K]+ 261.052358 156.4
[M+H-H2O]+ 205.086460 139.1
[M+HCOO]- 267.087401 164.9
[M+CH3COO]- 281.103051 196.0
[M+Na-2H]- 243.063866 149.2
[M]+ 222.08865142 147.7
[M]- 222.08974858 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