CID 7569008

1455-42-1

Structural Information

Molecular Formula
C15H28O6
SMILES
CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO
InChI
InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3
InChIKey
BPZIYBJCZRUDEG-UHFFFAOYSA-N
Compound name
2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4106
Patents

304.1886 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19588 170.2
[M+Na]+ 327.17782 172.8
[M-H]- 303.18132 174.3
[M+NH4]+ 322.22242 180.6
[M+K]+ 343.15176 176.5
[M+H-H2O]+ 287.18586 165.5
[M+HCOO]- 349.18680 177.0
[M+CH3COO]- 363.20245 198.6
[M+Na-2H]- 325.16327 178.5
[M]+ 304.18805 169.6
[M]- 304.18915 169.6
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