CID 12087100

Schembl111350

Structural Information

Molecular Formula
C6H14O2
SMILES
CCCOC(CC)O
InChI
InChI=1S/C6H14O2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3
InChIKey
WFTFZCCPGNXIPK-UHFFFAOYSA-N
Compound name
1-propoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8691
Patents

118.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.106656 126.1
[M+Na]+ 141.088598 132.6
[M-H]- 117.092104 125.0
[M+NH4]+ 136.133203 148.1
[M+K]+ 157.062538 132.9
[M+H-H2O]+ 101.096640 121.8
[M+HCOO]- 163.097581 147.8
[M+CH3COO]- 177.113231 169.3
[M+Na-2H]- 139.074046 131.4
[M]+ 118.09883142 127.7
[M]- 118.09992858 127.7
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.