CID 22011445

1,1-dibutoxypentane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCCCC(OCCCC)OCCCC
InChI
InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3
InChIKey
LDJYPEMHNQONGS-UHFFFAOYSA-N
Compound name
1,1-dibutoxypentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

57
Patents

216.20892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.216196 157.9
[M+Na]+ 239.198138 161.9
[M-H]- 215.201644 156.9
[M+NH4]+ 234.242743 176.7
[M+K]+ 255.172078 161.3
[M+H-H2O]+ 199.206180 152.0
[M+HCOO]- 261.207121 178.8
[M+CH3COO]- 275.222771 193.1
[M+Na-2H]- 237.183586 159.9
[M]+ 216.20837142 164.1
[M]- 216.20946858 164.1
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