CID 18652078

(2s)-6-amino-2-(dimethylamino)hexanoicaciddihydrochloride

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CN(C)[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C8H18N2O2/c1-10(2)7(8(11)12)5-3-4-6-9/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKey
RYFOQDQDVYIEHN-ZETCQYMHSA-N
Compound name
(2S)-6-amino-2-(dimethylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

66
References

2725
Patents

174.13683 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 142.8
[M+Na]+ 197.12605 146.9
[M-H]- 173.12955 142.2
[M+NH4]+ 192.17065 161.9
[M+K]+ 213.09999 147.5
[M+H-H2O]+ 157.13409 136.8
[M+HCOO]- 219.13503 164.9
[M+CH3COO]- 233.15068 188.0
[M+Na-2H]- 195.11150 144.1
[M]+ 174.13628 142.3
[M]- 174.13738 142.3
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

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