CID 10953470

1-hydroxycyclobutanecarboxylic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
C1CC(C1)(C(=O)O)O
InChI
InChI=1S/C5H8O3/c6-4(7)5(8)2-1-3-5/h8H,1-3H2,(H,6,7)
InChIKey
XCBNHDSVRQZWLH-UHFFFAOYSA-N
Compound name
1-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

696
Patents

116.04734 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 122.2
[M+Na]+ 139.03656 127.9
[M-H]- 115.04006 123.4
[M+NH4]+ 134.08116 138.5
[M+K]+ 155.01050 130.4
[M+H-H2O]+ 99.044600 114.0
[M+HCOO]- 161.04554 141.4
[M+CH3COO]- 175.06119 166.2
[M+Na-2H]- 137.02201 128.2
[M]+ 116.04679 128.3
[M]- 116.04789 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe