CID 6437156

Einecs 267-381-5

Structural Information

Molecular Formula
C26H49NO2
SMILES
CCCCCCCC/C=C/CCCCCCCCN(CC(=O)O)C1CCCCC1
InChI
InChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(24-26(28)29)25-21-18-17-19-22-25/h9-10,25H,2-8,11-24H2,1H3,(H,28,29)/b10-9+
InChIKey
LJPSUPSSSBNCHG-MDZDMXLPSA-N
Compound name
2-[cyclohexyl-[(E)-octadec-9-enyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.37634 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.38362 213.7
[M+Na]+ 430.36556 209.9
[M-H]- 406.36906 212.7
[M+NH4]+ 425.41016 223.4
[M+K]+ 446.33950 205.2
[M+H-H2O]+ 390.37360 204.5
[M+HCOO]- 452.37454 227.9
[M+CH3COO]- 466.39019 231.5
[M+Na-2H]- 428.35101 207.7
[M]+ 407.37579 214.8
[M]- 407.37689 214.8
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

No patent data available for this compound.