CID 2005

6-acetamidohexanoic 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

4670
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 139.7
[M+Na]+ 196.09442 147.0
[M+NH4]+ 191.13902 145.3
[M+K]+ 212.06836 143.3
[M-H]- 172.09792 137.4
[M+Na-2H]- 194.07987 140.9
[M]+ 173.10465 139.5
[M]- 173.10575 139.5
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