CID 3022709

Cyclobutane-1,3-diol

Structural Information

Molecular Formula
C4H8O2
SMILES
C1C(CC1O)O
InChI
InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2
InChIKey
STENYDAIMALDKF-UHFFFAOYSA-N
Compound name
cyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2205
Patents

88.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 112.4
[M+Na]+ 111.04165 118.8
[M-H]- 87.045154 113.8
[M+NH4]+ 106.08625 128.5
[M+K]+ 127.01559 121.1
[M+H-H2O]+ 71.049690 103.6
[M+HCOO]- 133.05063 132.6
[M+CH3COO]- 147.06628 162.9
[M+Na-2H]- 109.02710 118.7
[M]+ 88.051881 118.2
[M]- 88.052979 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe