CID 177800009

2-methyl-2-(oxetan-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C)(C1CCO1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-7(2,6(8)9)5-3-4-10-5/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
FKJKNJVHPWTBOM-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxetan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 126.6
[M+Na]+ 167.067858 131.5
[M-H]- 143.071364 129.5
[M+NH4]+ 162.112463 139.6
[M+K]+ 183.041798 135.8
[M+H-H2O]+ 127.075900 117.3
[M+HCOO]- 189.076841 144.4
[M+CH3COO]- 203.092491 175.3
[M+Na-2H]- 165.053306 133.1
[M]+ 144.07809142 135.2
[M]- 144.07918858 135.2
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

No patent data available for this compound.