CID 81491

7024-09-1

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

36105
Patents

202.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 147.3
[M+Na]+ 225.10973 152.6
[M-H]- 201.11323 144.5
[M+NH4]+ 220.15433 165.1
[M+K]+ 241.08367 151.6
[M+H-H2O]+ 185.11777 143.0
[M+HCOO]- 247.11871 164.6
[M+CH3COO]- 261.13436 181.5
[M+Na-2H]- 223.09518 149.6
[M]+ 202.11996 148.8
[M]- 202.12106 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