CID 79753

Acetaldehyde di-isobutylacetal

Structural Information

Molecular Formula
C10H22O2
SMILES
CC(C)COC(C)OCC(C)C
InChI
InChI=1S/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3
InChIKey
KIELJSVPUISYCI-UHFFFAOYSA-N
Compound name
2-methyl-1-[1-(2-methylpropoxy)ethoxy]propane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

161
Patents

174.16199 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.16927 144.3
[M+Na]+ 197.15121 149.3
[M-H]- 173.15471 144.2
[M+NH4]+ 192.19581 164.7
[M+K]+ 213.12515 150.3
[M+H-H2O]+ 157.15925 139.3
[M+HCOO]- 219.16019 164.3
[M+CH3COO]- 233.17584 185.8
[M+Na-2H]- 195.13666 145.5
[M]+ 174.16144 148.1
[M]- 174.16254 148.1
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