CID 6420121

7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid

Structural Information

Molecular Formula
C14H26N2O3
SMILES
C1CCC(CC1)NC(=O)NCCCCCCC(=O)O
InChI
InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
InChIKey
GYTIWWDVOFXKPF-UHFFFAOYSA-N
Compound name
7-(cyclohexylcarbamoylamino)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.19434 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20162 166.7
[M+Na]+ 293.18356 166.7
[M-H]- 269.18706 166.7
[M+NH4]+ 288.22816 181.0
[M+K]+ 309.15750 164.7
[M+H-H2O]+ 253.19160 159.3
[M+HCOO]- 315.19254 184.8
[M+CH3COO]- 329.20819 199.8
[M+Na-2H]- 291.16901 167.0
[M]+ 270.19379 162.1
[M]- 270.19489 162.1
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

No patent data available for this compound.