CID 3055065

Brn 0018403

Structural Information

Molecular Formula
C16H28O6
SMILES
CCCCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C16H28O6/c1-6-7-8-17-12-11(10-9-18-15(2,3)20-10)19-14-13(12)21-16(4,5)22-14/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13?,14?/m1/s1
InChIKey
KNYPSITXAJZDKY-BFKVFCTQSA-N
Compound name
(5R,6S)-6-butoxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1886 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19588 169.7
[M+Na]+ 339.17782 176.8
[M-H]- 315.18132 179.8
[M+NH4]+ 334.22242 187.9
[M+K]+ 355.15176 180.5
[M+H-H2O]+ 299.18586 170.3
[M+HCOO]- 361.18680 184.1
[M+CH3COO]- 375.20245 206.2
[M+Na-2H]- 337.16327 172.3
[M]+ 316.18805 177.4
[M]- 316.18915 177.4
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

No patent data available for this compound.