CID 3020350

85099-10-1

Structural Information

Molecular Formula
C12H20O5
SMILES
CC(=C)C(=O)OCCOC(=O)CCCCCO
InChI
InChI=1S/C12H20O5/c1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13/h13H,1,3-9H2,2H3
InChIKey
IHYBDNMNEPKOEB-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-enoyloxy)ethyl 6-hydroxyhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

830
Patents

244.13107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13835 157.8
[M+Na]+ 267.12029 162.3
[M-H]- 243.12379 155.9
[M+NH4]+ 262.16489 174.4
[M+K]+ 283.09423 161.7
[M+H-H2O]+ 227.12833 152.2
[M+HCOO]- 289.12927 177.0
[M+CH3COO]- 303.14492 191.1
[M+Na-2H]- 265.10574 157.6
[M]+ 244.13052 162.6
[M]- 244.13162 162.6
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