CID 2005

6-(acetylamino)hexanoic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey
WDSCBUNMANHPFH-UHFFFAOYSA-N
Compound name
6-acetamidohexanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

95
References

4754
Patents

173.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.8
[M+Na]+ 196.09442 145.0
[M-H]- 172.09792 138.4
[M+NH4]+ 191.13902 159.0
[M+K]+ 212.06836 144.4
[M+H-H2O]+ 156.10246 134.5
[M+HCOO]- 218.10340 161.6
[M+CH3COO]- 232.11905 180.6
[M+Na-2H]- 194.07987 142.9
[M]+ 173.10465 140.6
[M]- 173.10575 140.6
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

No patent data available for this compound.