CID 81491

2,2-bis(hydroxymethyl)butyl methacrylate

Structural Information

Molecular Formula
C10H18O4
SMILES
CCC(CO)(CO)COC(=O)C(=C)C
InChI
InChI=1S/C10H18O4/c1-4-10(5-11,6-12)7-14-9(13)8(2)3/h11-12H,2,4-7H2,1,3H3
InChIKey
HGOUNPXIJSDIKV-UHFFFAOYSA-N
Compound name
2,2-bis(hydroxymethyl)butyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37133
Patents

202.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 147.3
[M+Na]+ 225.109728 152.6
[M-H]- 201.113234 144.5
[M+NH4]+ 220.154333 165.1
[M+K]+ 241.083668 151.6
[M+H-H2O]+ 185.117770 143.0
[M+HCOO]- 247.118711 164.6
[M+CH3COO]- 261.134361 181.5
[M+Na-2H]- 223.095176 149.6
[M]+ 202.11996142 148.8
[M]- 202.12105858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe