CID 22486676

3-hydroxycyclobutan-1-one

Structural Information

Molecular Formula
C4H6O2
SMILES
C1C(CC1=O)O
InChI
InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2
InChIKey
VYZHGWJPDGIYDR-UHFFFAOYSA-N
Compound name
3-hydroxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

86.03678 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.044056 109.3
[M+Na]+ 109.02600 116.5
[M-H]- 85.029504 112.2
[M+NH4]+ 104.07060 126.1
[M+K]+ 124.99994 119.2
[M+H-H2O]+ 69.034040 100.6
[M+HCOO]- 131.03498 131.3
[M+CH3COO]- 145.05063 164.5
[M+Na-2H]- 107.01145 116.4
[M]+ 86.036231 116.4
[M]- 86.037329 116.4
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