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

6
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 133.1
[M+Na]+ 167.067858 137.7
[M-H]- 143.071364 134.1
[M+NH4]+ 162.112463 148.3
[M+K]+ 183.041798 140.2
[M+H-H2O]+ 127.075900 124.6
[M+HCOO]- 189.076841 150.6
[M+CH3COO]- 203.092491 173.0
[M+Na-2H]- 165.053306 136.6
[M]+ 144.07809142 139.3
[M]- 144.07918858 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