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

805
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 182.6
[M+Na]+ 322.27166 183.5
[M-H]- 298.27516 179.1
[M+NH4]+ 317.31626 196.8
[M+K]+ 338.24560 180.0
[M+H-H2O]+ 282.27970 175.4
[M+HCOO]- 344.28064 201.6
[M+CH3COO]- 358.29629 209.4
[M+Na-2H]- 320.25711 181.7
[M]+ 299.28189 187.2
[M]- 299.28299 187.2
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