CID 288245

1,1,2,2-cyclobutanetetramethanol

Structural Information

Molecular Formula
C8H16O4
SMILES
C1CC(C1(CO)CO)(CO)CO
InChI
InChI=1S/C8H16O4/c9-3-7(4-10)1-2-8(7,5-11)6-12/h9-12H,1-6H2
InChIKey
OYZCFPNTSFYPIA-UHFFFAOYSA-N
Compound name
[1,2,2-tris(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.10486 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 141.6
[M+Na]+ 199.09408 146.8
[M-H]- 175.09758 140.1
[M+NH4]+ 194.13868 156.4
[M+K]+ 215.06802 147.4
[M+H-H2O]+ 159.10212 134.6
[M+HCOO]- 221.10306 157.7
[M+CH3COO]- 235.11871 173.3
[M+Na-2H]- 197.07953 146.7
[M]+ 176.10431 148.7
[M]- 176.10541 148.7
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

No patent data available for this compound.