CID 58875470

2-methylcyclobutane-1,3-diol,mixtureofdiastereomers

Structural Information

Molecular Formula
C5H10O2
SMILES
CC1C(CC1O)O
InChI
InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3
InChIKey
WURCECLRQBMYHM-UHFFFAOYSA-N
Compound name
2-methylcyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 117.0
[M+Na]+ 125.05730 123.9
[M-H]- 101.06080 118.6
[M+NH4]+ 120.10190 132.8
[M+K]+ 141.03124 126.0
[M+H-H2O]+ 85.065340 108.3
[M+HCOO]- 147.06628 136.9
[M+CH3COO]- 161.08193 167.0
[M+Na-2H]- 123.04275 122.1
[M]+ 102.06753 123.5
[M]- 102.06863 123.5
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