CID 13528239

1-(4-methyl-1,3-dioxan-2-yl)propan-2-ol

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1CCOC(O1)CC(C)O
InChI
InChI=1S/C8H16O3/c1-6(9)5-8-10-4-3-7(2)11-8/h6-9H,3-5H2,1-2H3
InChIKey
YHJZGVBAXKBVEE-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-dioxan-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.10994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 135.8
[M+Na]+ 183.099158 140.9
[M-H]- 159.102664 138.8
[M+NH4]+ 178.143763 153.3
[M+K]+ 199.073098 142.8
[M+H-H2O]+ 143.107200 130.6
[M+HCOO]- 205.108141 152.7
[M+CH3COO]- 219.123791 175.0
[M+Na-2H]- 181.084606 141.1
[M]+ 160.10939142 134.5
[M]- 160.11048858 134.5
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