CID 12231928

34941-21-4

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CC(CCO1)C=O)C
InChI
InChI=1S/C8H14O2/c1-8(2)5-7(6-9)3-4-10-8/h6-7H,3-5H2,1-2H3
InChIKey
LQCOXFCJGIILHS-UHFFFAOYSA-N
Compound name
2,2-dimethyloxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 127.9
[M+Na]+ 165.08860 134.9
[M-H]- 141.09210 132.1
[M+NH4]+ 160.13320 150.3
[M+K]+ 181.06254 135.7
[M+H-H2O]+ 125.09664 123.7
[M+HCOO]- 187.09758 148.3
[M+CH3COO]- 201.11323 173.2
[M+Na-2H]- 163.07405 135.4
[M]+ 142.09883 126.7
[M]- 142.09993 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe