CID 62399229

2-(1-hydroxycyclobutyl)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C(=O)O)C1(CCC1)O
InChI
InChI=1S/C7H12O3/c1-5(6(8)9)7(10)3-2-4-7/h5,10H,2-4H2,1H3,(H,8,9)
InChIKey
LADZBZXIORDCEZ-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclobutyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 133.1
[M+Na]+ 167.06786 137.7
[M-H]- 143.07136 134.1
[M+NH4]+ 162.11246 148.3
[M+K]+ 183.04180 140.2
[M+H-H2O]+ 127.07590 124.6
[M+HCOO]- 189.07684 150.6
[M+CH3COO]- 203.09249 173.0
[M+Na-2H]- 165.05331 136.6
[M]+ 144.07809 139.3
[M]- 144.07919 139.3
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