CID 69628

682-08-6

Structural Information

Molecular Formula
C15H26O3
SMILES
CCC(COCC=C)(COCC=C)COCC=C
InChI
InChI=1S/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3
InChIKey
JPTSCQGFFOSLQE-UHFFFAOYSA-N
Compound name
1-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1739
Patents

254.1882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 164.2
[M+Na]+ 277.17742 169.1
[M-H]- 253.18092 163.2
[M+NH4]+ 272.22202 181.4
[M+K]+ 293.15136 166.5
[M+H-H2O]+ 237.18546 158.7
[M+HCOO]- 299.18640 184.9
[M+CH3COO]- 313.20205 197.9
[M+Na-2H]- 275.16287 167.5
[M]+ 254.18765 170.9
[M]- 254.18875 170.9
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