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]+ 131.10666 124.8
[M+Na]+ 153.08860 129.5
[M-H]- 129.09210 126.6
[M+NH4]+ 148.13320 139.6
[M+K]+ 169.06254 132.0
[M+H-H2O]+ 113.09664 115.0
[M+HCOO]- 175.09758 145.6
[M+CH3COO]- 189.11323 173.2
[M+Na-2H]- 151.07405 130.8
[M]+ 130.09883 133.2
[M]- 130.09993 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.