CID 57347853

Diisopentyl acetal propane

Structural Information

Molecular Formula
C14H30O2
SMILES
CC(C)CCOC(C(C)C)OCCC(C)C
InChI
InChI=1S/C14H30O2/c1-11(2)7-9-15-14(13(5)6)16-10-8-12(3)4/h11-14H,7-10H2,1-6H3
InChIKey
LLPRPPREEWFLJD-UHFFFAOYSA-N
Compound name
3-methyl-1-[2-methyl-1-(3-methylbutoxy)propoxy]butane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1
Patents

230.22458 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 163.1
[M+Na]+ 253.21380 166.2
[M-H]- 229.21730 162.3
[M+NH4]+ 248.25840 181.2
[M+K]+ 269.18774 166.7
[M+H-H2O]+ 213.22184 157.4
[M+HCOO]- 275.22278 180.8
[M+CH3COO]- 289.23843 198.7
[M+Na-2H]- 251.19925 160.8
[M]+ 230.22403 167.8
[M]- 230.22513 167.8
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