CID 23344549

2-cyclobutylpropane-1,3-diol

Structural Information

Molecular Formula
C7H14O2
SMILES
C1CC(C1)C(CO)CO
InChI
InChI=1S/C7H14O2/c8-4-7(5-9)6-2-1-3-6/h6-9H,1-5H2
InChIKey
DCYXFUZHSKLYQC-UHFFFAOYSA-N
Compound name
2-cyclobutylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 128.5
[M+Na]+ 153.088598 132.4
[M-H]- 129.092104 129.0
[M+NH4]+ 148.133203 142.4
[M+K]+ 169.062538 134.4
[M+H-H2O]+ 113.096640 118.7
[M+HCOO]- 175.097581 146.7
[M+CH3COO]- 189.113231 171.4
[M+Na-2H]- 151.074046 132.4
[M]+ 130.09883142 134.3
[M]- 130.09992858 134.3
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