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

4
Patents

160.10994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 135.8
[M+Na]+ 183.09916 140.9
[M-H]- 159.10266 138.8
[M+NH4]+ 178.14376 153.3
[M+K]+ 199.07310 142.8
[M+H-H2O]+ 143.10720 130.6
[M+HCOO]- 205.10814 152.7
[M+CH3COO]- 219.12379 175.0
[M+Na-2H]- 181.08461 141.1
[M]+ 160.10939 134.5
[M]- 160.11049 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