CID 22238526

Schembl2540758

Structural Information

Molecular Formula
C14H22O4
SMILES
CC(CCC(C)OC(=O)C(=C)C)OC(=O)C(=C)C
InChI
InChI=1S/C14H22O4/c1-9(2)13(15)17-11(5)7-8-12(6)18-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3
InChIKey
ZJFDEZWTDPVMPL-UHFFFAOYSA-N
Compound name
5-(2-methylprop-2-enoyloxy)hexan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

254.15181 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.159086 160.5
[M+Na]+ 277.141028 164.6
[M-H]- 253.144534 160.1
[M+NH4]+ 272.185633 177.3
[M+K]+ 293.114968 164.7
[M+H-H2O]+ 237.149070 155.3
[M+HCOO]- 299.150011 177.7
[M+CH3COO]- 313.165661 199.5
[M+Na-2H]- 275.126476 156.4
[M]+ 254.15126142 164.0
[M]- 254.15235858 164.0
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