CID 639797

2,2,3-trimethylbutanoic acid

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)C(C)(C)C(=O)O
InChI
InChI=1S/C7H14O2/c1-5(2)7(3,4)6(8)9/h5H,1-4H3,(H,8,9)
InChIKey
MLFLWIBXZIPYEI-UHFFFAOYSA-N
Compound name
2,2,3-trimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

882
Patents

130.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.7
[M+Na]+ 153.08860 137.7
[M+NH4]+ 148.13320 135.7
[M+K]+ 169.06254 134.6
[M-H]- 129.09210 126.5
[M+Na-2H]- 151.07405 131.1
[M]+ 130.09883 129.1
[M]- 130.09993 129.1
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