CID 58875470

2-methylcyclobutane-1,3-diol

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

52
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 117.0
[M+Na]+ 125.057298 123.9
[M-H]- 101.060804 118.6
[M+NH4]+ 120.101903 132.8
[M+K]+ 141.031238 126.0
[M+H-H2O]+ 85.065340 108.3
[M+HCOO]- 147.066281 136.9
[M+CH3COO]- 161.081931 167.0
[M+Na-2H]- 123.042746 122.1
[M]+ 102.06753142 123.5
[M]- 102.06862858 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