CID 10877796

51575-61-2

Structural Information

Molecular Formula
C10H16O3
SMILES
C/C(=C\C1OCC(CO1)(C)C)/C=O
InChI
InChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,9H,6-7H2,1-3H3/b8-4+
InChIKey
IKGLKDCWHOWCMD-XBXARRHUSA-N
Compound name
(E)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 139.5
[M+Na]+ 207.09916 145.8
[M-H]- 183.10266 144.1
[M+NH4]+ 202.14376 158.8
[M+K]+ 223.07310 147.3
[M+H-H2O]+ 167.10720 135.0
[M+HCOO]- 229.10814 157.7
[M+CH3COO]- 243.12379 180.9
[M+Na-2H]- 205.08461 145.7
[M]+ 184.10939 139.7
[M]- 184.11049 139.7
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