CID 2734769

127600-13-9

Structural Information

Molecular Formula
C10H18O3
SMILES
CC1(COC(OC1)CCCC=O)C
InChI
InChI=1S/C10H18O3/c1-10(2)7-12-9(13-8-10)5-3-4-6-11/h6,9H,3-5,7-8H2,1-2H3
InChIKey
KSKRSPYEXSAZRE-UHFFFAOYSA-N
Compound name
4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

186.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 140.6
[M+Na]+ 209.11482 146.6
[M-H]- 185.11832 144.9
[M+NH4]+ 204.15942 159.8
[M+K]+ 225.08876 148.3
[M+H-H2O]+ 169.12286 135.7
[M+HCOO]- 231.12380 159.5
[M+CH3COO]- 245.13945 181.5
[M+Na-2H]- 207.10027 147.9
[M]+ 186.12505 142.2
[M]- 186.12615 142.2
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