CID 70911

1,3-propanediol dimethacrylate

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(=C)C(=O)OCCCOC(=O)C(=C)C
InChI
InChI=1S/C11H16O4/c1-8(2)10(12)14-6-5-7-15-11(13)9(3)4/h1,3,5-7H2,2,4H3
InChIKey
HTWRFCRQSLVESJ-UHFFFAOYSA-N
Compound name
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7794
Patents

212.10486 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 147.7
[M+Na]+ 235.094078 153.3
[M-H]- 211.097584 147.6
[M+NH4]+ 230.138683 166.2
[M+K]+ 251.068018 153.1
[M+H-H2O]+ 195.102120 142.6
[M+HCOO]- 257.103061 167.8
[M+CH3COO]- 271.118711 188.7
[M+Na-2H]- 233.079526 147.4
[M]+ 212.10431142 151.2
[M]- 212.10540858 151.2
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