CID 53428152

T5fwc67bw5

Structural Information

Molecular Formula
C11H24O2
SMILES
CCCOC(CC)OCCC(C)C
InChI
InChI=1S/C11H24O2/c1-5-8-12-11(6-2)13-9-7-10(3)4/h10-11H,5-9H2,1-4H3
InChIKey
LKIPPJXMIREVSH-UHFFFAOYSA-N
Compound name
3-methyl-1-(1-propoxypropoxy)butane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

188.17763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.184906 149.0
[M+Na]+ 211.166848 153.7
[M-H]- 187.170354 148.5
[M+NH4]+ 206.211453 168.9
[M+K]+ 227.140788 154.1
[M+H-H2O]+ 171.174890 143.6
[M+HCOO]- 233.175831 169.6
[M+CH3COO]- 247.191481 188.0
[M+Na-2H]- 209.152296 150.8
[M]+ 188.17708142 153.8
[M]- 188.17817858 153.8
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

No patent data available for this compound.