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]+ 133.049526 125.7
[M+Na]+ 155.031468 131.6
[M-H]- 131.034974 125.8
[M+NH4]+ 150.076073 140.8
[M+K]+ 171.005408 133.8
[M+H-H2O]+ 115.039510 117.7
[M+HCOO]- 177.040451 143.5
[M+CH3COO]- 191.056101 167.1
[M+Na-2H]- 153.016916 130.5
[M]+ 132.04170142 131.8
[M]- 132.04279858 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