CID 174364

84170-74-1

Structural Information

Molecular Formula
C17H28O6
SMILES
CC(C)(COCCCOC(=O)C=C)COCCCOC(=O)C=C
InChI
InChI=1S/C17H28O6/c1-5-15(18)22-11-7-9-20-13-17(3,4)14-21-10-8-12-23-16(19)6-2/h5-6H,1-2,7-14H2,3-4H3
InChIKey
NQGDHQASSFDDLD-UHFFFAOYSA-N
Compound name
3-[2,2-dimethyl-3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

998
Patents

328.1886 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19588 179.7
[M+Na]+ 351.17782 183.4
[M-H]- 327.18132 178.5
[M+NH4]+ 346.22242 188.0
[M+K]+ 367.15176 182.4
[M+H-H2O]+ 311.18586 173.5
[M+HCOO]- 373.18680 197.8
[M+CH3COO]- 387.20245 209.1
[M+Na-2H]- 349.16327 180.1
[M]+ 328.18805 189.3
[M]- 328.18915 189.3
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