CID 79695166

4-(dimethylamino)-4-methylpentanoic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(CCC(=O)O)N(C)C
InChI
InChI=1S/C8H17NO2/c1-8(2,9(3)4)6-5-7(10)11/h5-6H2,1-4H3,(H,10,11)
InChIKey
WHOXQLBULQCFMG-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 136.6
[M+Na]+ 182.115148 142.5
[M-H]- 158.118654 137.0
[M+NH4]+ 177.159753 157.4
[M+K]+ 198.089088 143.4
[M+H-H2O]+ 142.123190 132.1
[M+HCOO]- 204.124131 158.0
[M+CH3COO]- 218.139781 183.1
[M+Na-2H]- 180.100596 141.1
[M]+ 159.12538142 138.3
[M]- 159.12647858 138.3
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

No patent data available for this compound.