CID 136576256

2228571-37-5

Structural Information

Molecular Formula
C6H8O5
SMILES
C1C(CC1(C(=O)O)O)C(=O)O
InChI
InChI=1S/C6H8O5/c7-4(8)3-1-6(11,2-3)5(9)10/h3,11H,1-2H2,(H,7,8)(H,9,10)
InChIKey
GGRRVOGSNSSIJE-UHFFFAOYSA-N
Compound name
1-hydroxycyclobutane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03717 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.044446 132.8
[M+Na]+ 183.026388 138.0
[M-H]- 159.029894 132.6
[M+NH4]+ 178.070993 146.4
[M+K]+ 199.000328 140.4
[M+H-H2O]+ 143.034430 124.3
[M+HCOO]- 205.035371 149.5
[M+CH3COO]- 219.051021 172.2
[M+Na-2H]- 181.011836 135.7
[M]+ 160.03662142 139.2
[M]- 160.03771858 139.2
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