CID 92907

1946-82-3

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKey
VEYYWZRYIYDQJM-ZETCQYMHSA-N
Compound name
(2S)-2-acetamido-6-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

292
References

12766
Patents

188.11609 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 144.5
[M+Na]+ 211.105308 148.5
[M-H]- 187.108814 142.5
[M+NH4]+ 206.149913 162.2
[M+K]+ 227.079248 148.1
[M+H-H2O]+ 171.113350 138.6
[M+HCOO]- 233.114291 165.5
[M+CH3COO]- 247.129941 186.1
[M+Na-2H]- 209.090756 145.3
[M]+ 188.11554142 142.7
[M]- 188.11663858 142.7
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