CID 30020

2-ethylpentanoic acid

Structural Information

Molecular Formula
C7H14O2
SMILES
CCCC(CC)C(=O)O
InChI
InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey
BAZMYXGARXYAEQ-UHFFFAOYSA-N
Compound name
2-ethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5781
Patents

130.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.9
[M+Na]+ 153.08860 138.2
[M+NH4]+ 148.13320 136.2
[M+K]+ 169.06254 133.9
[M-H]- 129.09210 127.3
[M+Na-2H]- 151.07405 131.4
[M]+ 130.09883 129.5
[M]- 130.09993 129.5
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