CID 131560629

2,4-dimethyloxane-4-carboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1CC(CCO1)(C)C(=O)O
InChI
InChI=1S/C8H14O3/c1-6-5-8(2,7(9)10)3-4-11-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
ZXTWVDRYEJZPOW-UHFFFAOYSA-N
Compound name
2,4-dimethyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 133.5
[M+Na]+ 181.08352 143.5
[M+NH4]+ 176.12812 142.6
[M+K]+ 197.05746 137.7
[M-H]- 157.08702 135.2
[M+Na-2H]- 179.06897 138.3
[M]+ 158.09375 135.3
[M]- 158.09485 135.3
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