CID 440139

6-acetamido-3-aminohexanoate

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(=O)NCCCC(CC(=O)O)N
InChI
InChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKey
MBZWIPOSTWTKSV-UHFFFAOYSA-N
Compound name
6-acetamido-3-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.11609 Da
Monoisotopic Mass

-3.4
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