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]+ 161.04445 132.8
[M+Na]+ 183.02639 138.0
[M-H]- 159.02989 132.6
[M+NH4]+ 178.07099 146.4
[M+K]+ 199.00033 140.4
[M+H-H2O]+ 143.03443 124.3
[M+HCOO]- 205.03537 149.5
[M+CH3COO]- 219.05102 172.2
[M+Na-2H]- 181.01184 135.7
[M]+ 160.03662 139.2
[M]- 160.03772 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