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

656
Patents

116.08373 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.6
[M+Na]+ 139.07295 129.2
[M-H]- 115.07645 124.7
[M+NH4]+ 134.11755 140.3
[M+K]+ 155.04689 131.0
[M+H-H2O]+ 99.080990 115.5
[M+HCOO]- 161.08193 143.2
[M+CH3COO]- 175.09758 167.3
[M+Na-2H]- 137.05840 130.5
[M]+ 116.08318 130.1
[M]- 116.08428 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