CID 4498243

Cyclobutane-1,1-diyldimethanol

Structural Information

Molecular Formula
C6H12O2
SMILES
C1CC(C1)(CO)CO
InChI
InChI=1S/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2
InChIKey
AEBIBBWVNCPTNL-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

662
Patents

116.08373 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 123.6
[M+Na]+ 139.072948 129.2
[M-H]- 115.076454 124.7
[M+NH4]+ 134.117553 140.3
[M+K]+ 155.046888 131.0
[M+H-H2O]+ 99.080990 115.5
[M+HCOO]- 161.081931 143.2
[M+CH3COO]- 175.097581 167.3
[M+Na-2H]- 137.058396 130.5
[M]+ 116.08318142 130.1
[M]- 116.08427858 130.1
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