CID 12602732

[trans-2-(hydroxymethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
C1C[C@H]([C@@H]1CO)CO
InChI
InChI=1S/C6H12O2/c7-3-5-1-2-6(5)4-8/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKey
GAADRFVRUBFCML-WDSKDSINSA-N
Compound name
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

116.08373 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 121.8
[M+Na]+ 139.072948 127.3
[M-H]- 115.076454 122.8
[M+NH4]+ 134.117553 136.7
[M+K]+ 155.046888 129.2
[M+H-H2O]+ 99.080990 112.6
[M+HCOO]- 161.081931 141.4
[M+CH3COO]- 175.097581 168.8
[M+Na-2H]- 137.058396 127.0
[M]+ 116.08318142 128.3
[M]- 116.08427858 128.3
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