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]+ 271.201616 166.7
[M+Na]+ 293.183558 166.7
[M-H]- 269.187064 166.7
[M+NH4]+ 288.228163 181.0
[M+K]+ 309.157498 164.7
[M+H-H2O]+ 253.191600 159.3
[M+HCOO]- 315.192541 184.8
[M+CH3COO]- 329.208191 199.8
[M+Na-2H]- 291.169006 167.0
[M]+ 270.19379142 162.1
[M]- 270.19488858 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.