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

27
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 128.5
[M+Na]+ 153.08860 132.4
[M-H]- 129.09210 129.0
[M+NH4]+ 148.13320 142.4
[M+K]+ 169.06254 134.4
[M+H-H2O]+ 113.09664 118.7
[M+HCOO]- 175.09758 146.7
[M+CH3COO]- 189.11323 171.4
[M+Na-2H]- 151.07405 132.4
[M]+ 130.09883 134.3
[M]- 130.09993 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