CID 246089

2-nonanone propyleneglycol acetal

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCCCCCC1(OCC(O1)C)C
InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(3)13-10-11(2)14-12/h11H,4-10H2,1-3H3
InChIKey
AEGTXRAMXBTODF-UHFFFAOYSA-N
Compound name
2-heptyl-2,4-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
Patents

200.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 148.2
[M+Na]+ 223.16685 154.1
[M-H]- 199.17035 152.2
[M+NH4]+ 218.21145 168.8
[M+K]+ 239.14079 155.0
[M+H-H2O]+ 183.17489 143.8
[M+HCOO]- 245.17583 168.1
[M+CH3COO]- 259.19148 186.0
[M+Na-2H]- 221.15230 153.1
[M]+ 200.17708 151.7
[M]- 200.17818 151.8
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