CID 92165048

(2r)-2-(dimethylamino)hexanoic acid

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C8H17NO2/c1-4-5-6-7(8(10)11)9(2)3/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKey
CXLSDGHWWXDHEE-ZETCQYMHSA-N
Compound name
(2S)-2-(dimethylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

159.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.1
[M+Na]+ 182.11515 143.2
[M-H]- 158.11865 138.2
[M+NH4]+ 177.15975 158.6
[M+K]+ 198.08909 144.1
[M+H-H2O]+ 142.12319 132.9
[M+HCOO]- 204.12413 159.9
[M+CH3COO]- 218.13978 183.7
[M+Na-2H]- 180.10060 140.4
[M]+ 159.12538 139.5
[M]- 159.12648 139.5
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