CID 20836323

94109-10-1

Structural Information

Molecular Formula
C26H47NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)O)C1CCCCC1
InChI
InChI=1S/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27(23-26(29)30)24-20-17-16-18-21-24/h9-10,24H,2-8,11-23H2,1H3,(H,29,30)/b10-9-
InChIKey
DIZJYGAQZVSKEJ-KTKRTIGZSA-N
Compound name
2-[cyclohexyl-[(Z)-octadec-9-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.3556 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.36288 215.8
[M+Na]+ 444.34482 212.0
[M-H]- 420.34832 215.0
[M+NH4]+ 439.38942 224.8
[M+K]+ 460.31876 207.9
[M+H-H2O]+ 404.35286 206.7
[M+HCOO]- 466.35380 229.5
[M+CH3COO]- 480.36945 232.9
[M+Na-2H]- 442.33027 208.8
[M]+ 421.35505 216.9
[M]- 421.35615 216.9
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.