CID 11658330

(2s)-2-(dimethylamino)-4-methylpentanoic acid

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)C[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C8H17NO2/c1-6(2)5-7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m0/s1
InChIKey
FZLYRJBAUQHHIH-ZETCQYMHSA-N
Compound name
(2S)-2-(dimethylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

342
Patents

159.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.0
[M+Na]+ 182.11515 143.0
[M-H]- 158.11865 138.3
[M+NH4]+ 177.15975 158.5
[M+K]+ 198.08909 144.4
[M+H-H2O]+ 142.12319 133.0
[M+HCOO]- 204.12413 158.9
[M+CH3COO]- 218.13978 184.6
[M+Na-2H]- 180.10060 139.2
[M]+ 159.12538 138.9
[M]- 159.12648 138.9
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