CID 57239380

2,2-dimethylcyclobutane-1,3-diol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(C(CC1O)O)C
InChI
InChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3
InChIKey
CREZVKNYLKCGGU-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

116.08373 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.1
[M+Na]+ 139.07295 129.1
[M+NH4]+ 134.11755 128.6
[M+K]+ 155.04689 125.0
[M-H]- 115.07645 120.6
[M+Na-2H]- 137.05840 125.9
[M]+ 116.08318 122.0
[M]- 116.08428 122.0
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