CID 19962532

116193-72-7

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C)C1OCC(CO1)C(=O)O
InChI
InChI=1S/C8H14O4/c1-5(2)8-11-3-6(4-12-8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKey
LAMFNZWIXHJCMW-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-dioxane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

174.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 137.3
[M+Na]+ 197.07842 142.3
[M-H]- 173.08192 140.3
[M+NH4]+ 192.12302 154.0
[M+K]+ 213.05236 144.6
[M+H-H2O]+ 157.08646 132.0
[M+HCOO]- 219.08740 153.5
[M+CH3COO]- 233.10305 177.3
[M+Na-2H]- 195.06387 141.4
[M]+ 174.08865 136.1
[M]- 174.08975 136.1
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