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

23
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.7
[M+Na]+ 153.08860 133.2
[M+NH4]+ 148.13320 132.5
[M+K]+ 169.06254 130.8
[M-H]- 129.09210 125.8
[M+Na-2H]- 151.07405 129.7
[M]+ 130.09883 127.0
[M]- 130.09993 127.0
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