CID 92832

692-04-6

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

84
References

12074
Patents

188.11609 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 144.5
[M+Na]+ 211.10531 148.5
[M-H]- 187.10881 142.5
[M+NH4]+ 206.14991 162.2
[M+K]+ 227.07925 148.1
[M+H-H2O]+ 171.11335 138.6
[M+HCOO]- 233.11429 165.5
[M+CH3COO]- 247.12994 186.1
[M+Na-2H]- 209.09076 145.3
[M]+ 188.11554 142.7
[M]- 188.11664 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