CID 57347944

Diisopentyl acetal

Structural Information

Molecular Formula
C15H32O2
SMILES
CC(C)CCOC(CC(C)C)OCCC(C)C
InChI
InChI=1S/C15H32O2/c1-12(2)7-9-16-15(11-14(5)6)17-10-8-13(3)4/h12-15H,7-11H2,1-6H3
InChIKey
JZZYTJHSNUMURA-UHFFFAOYSA-N
Compound name
3-methyl-1,1-bis(3-methylbutoxy)butane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1
Patents

244.24023 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.247506 167.8
[M+Na]+ 267.229448 170.5
[M-H]- 243.232954 166.8
[M+NH4]+ 262.274053 185.4
[M+K]+ 283.203388 170.7
[M+H-H2O]+ 227.237490 161.9
[M+HCOO]- 289.238431 185.2
[M+CH3COO]- 303.254081 201.6
[M+Na-2H]- 265.214896 165.0
[M]+ 244.23968142 172.9
[M]- 244.24077858 172.9
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