CID 63053942

3-cyclobutoxypropan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
C1CC(C1)OCCCO
InChI
InChI=1S/C7H14O2/c8-5-2-6-9-7-3-1-4-7/h7-8H,1-6H2
InChIKey
LAQYIZMINVEICB-UHFFFAOYSA-N
Compound name
3-cyclobutyloxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 124.8
[M+Na]+ 153.088598 129.5
[M-H]- 129.092104 126.6
[M+NH4]+ 148.133203 139.6
[M+K]+ 169.062538 132.0
[M+H-H2O]+ 113.096640 115.0
[M+HCOO]- 175.097581 145.6
[M+CH3COO]- 189.113231 173.2
[M+Na-2H]- 151.074046 130.8
[M]+ 130.09883142 133.2
[M]- 130.09992858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.