CID 246581

2,2,3,3-tetramethylbutanoic acid

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(C)(C)C(C)(C)C(=O)O
InChI
InChI=1S/C8H16O2/c1-7(2,3)8(4,5)6(9)10/h1-5H3,(H,9,10)
InChIKey
PIBUNTNSFAPZPC-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

144.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 131.6
[M+Na]+ 167.104258 138.7
[M-H]- 143.107764 131.0
[M+NH4]+ 162.148863 152.9
[M+K]+ 183.078198 138.7
[M+H-H2O]+ 127.112300 128.6
[M+HCOO]- 189.113241 149.9
[M+CH3COO]- 203.128891 174.5
[M+Na-2H]- 165.089706 137.6
[M]+ 144.11449142 132.3
[M]- 144.11558858 132.3
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