CID 134819044

Cis-1,3-dihydroxycyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
C1C(CC1(C(=O)O)O)O
InChI
InChI=1S/C5H8O4/c6-3-1-5(9,2-3)4(7)8/h3,6,9H,1-2H2,(H,7,8)
InChIKey
DRHHIKAKVKYIQN-UHFFFAOYSA-N
Compound name
1,3-dihydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

132.04225 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 125.7
[M+Na]+ 155.03147 131.6
[M-H]- 131.03497 125.8
[M+NH4]+ 150.07607 140.8
[M+K]+ 171.00541 133.8
[M+H-H2O]+ 115.03951 117.7
[M+HCOO]- 177.04045 143.5
[M+CH3COO]- 191.05610 167.1
[M+Na-2H]- 153.01692 130.5
[M]+ 132.04170 131.8
[M]- 132.04280 131.8
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