CID 18699

2,2,4,4-tetramethylpentanoic acid

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)(C)CC(C)(C)C(=O)O
InChI
InChI=1S/C9H18O2/c1-8(2,3)6-9(4,5)7(10)11/h6H2,1-5H3,(H,10,11)
InChIKey
UDILKAAYNUPREE-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

826
Patents

158.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 137.5
[M+Na]+ 181.11990 146.1
[M+NH4]+ 176.16450 144.1
[M+K]+ 197.09384 143.1
[M-H]- 157.12340 134.8
[M+Na-2H]- 179.10535 139.7
[M]+ 158.13013 137.8
[M]- 158.13123 137.8
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

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