CID 13183277

2,3-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC(C)C(C)C(=O)O
InChI
InChI=1S/C7H14O2/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKey
LBUDVZDSWKZABS-UHFFFAOYSA-N
Compound name
2,3-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1316
Patents

130.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 129.3
[M+Na]+ 153.088598 135.3
[M-H]- 129.092104 128.3
[M+NH4]+ 148.133203 150.6
[M+K]+ 169.062538 135.7
[M+H-H2O]+ 113.096640 125.1
[M+HCOO]- 175.097581 149.0
[M+CH3COO]- 189.113231 173.2
[M+Na-2H]- 151.074046 131.6
[M]+ 130.09883142 129.3
[M]- 130.09992858 129.3
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