CID 6420120

6-[(cyclohexylcarbamoyl)amino]hexanoic acid

Structural Information

Molecular Formula
C13H24N2O3
SMILES
C1CCC(CC1)NC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
InChIKey
KFTVEPYSUSWBRD-UHFFFAOYSA-N
Compound name
6-(cyclohexylcarbamoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

256.17868 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18596 162.3
[M+Na]+ 279.16790 162.7
[M-H]- 255.17140 162.5
[M+NH4]+ 274.21250 177.2
[M+K]+ 295.14184 160.9
[M+H-H2O]+ 239.17594 155.1
[M+HCOO]- 301.17688 180.7
[M+CH3COO]- 315.19253 196.8
[M+Na-2H]- 277.15335 163.1
[M]+ 256.17813 157.4
[M]- 256.17923 157.4
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