CID 110593

11-(heptylamino)undecanoic acid

Structural Information

Molecular Formula
C18H37NO2
SMILES
CCCCCCCNCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H37NO2/c1-2-3-4-10-13-16-19-17-14-11-8-6-5-7-9-12-15-18(20)21/h19H,2-17H2,1H3,(H,20,21)
InChIKey
GNHLOUIICBHQIT-UHFFFAOYSA-N
Compound name
11-(heptylamino)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

745
Patents

299.28244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.28972 180.9
[M+Na]+ 322.27166 186.8
[M+NH4]+ 317.31626 185.8
[M+K]+ 338.24560 179.5
[M-H]- 298.27516 179.1
[M+Na-2H]- 320.25711 180.5
[M]+ 299.28189 180.7
[M]- 299.28299 180.7
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

patents stripe