CID 12418127

2,3,4,4-tetramethylpentanoic acid

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C(C)C(C)(C)C)C(=O)O
InChI
InChI=1S/C9H18O2/c1-6(8(10)11)7(2)9(3,4)5/h6-7H,1-5H3,(H,10,11)
InChIKey
IWQGPFOFKOXBRP-UHFFFAOYSA-N
Compound name
2,3,4,4-tetramethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

158.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 137.7
[M+Na]+ 181.11990 145.9
[M+NH4]+ 176.16450 144.2
[M+K]+ 197.09384 143.2
[M-H]- 157.12340 135.1
[M+Na-2H]- 179.10535 139.2
[M]+ 158.13013 137.9
[M]- 158.13123 137.9
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