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
2
Annotation Hits

0
References

575
Patents

299.28244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.289716 182.6
[M+Na]+ 322.271658 183.5
[M-H]- 298.275164 179.1
[M+NH4]+ 317.316263 196.8
[M+K]+ 338.245598 180.0
[M+H-H2O]+ 282.279700 175.4
[M+HCOO]- 344.280641 201.6
[M+CH3COO]- 358.296291 209.4
[M+Na-2H]- 320.257106 181.7
[M]+ 299.28189142 187.2
[M]- 299.28298858 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