CID 20838684

Schembl2119598

Structural Information

Molecular Formula
C23H48NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](C)(C(C)O)C(C)O
InChI
InChI=1S/C23H48NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22(2)25)23(3)26/h12-13,22-23,25-26H,5-11,14-21H2,1-4H3/q+1/b13-12-
InChIKey
JYEJCXWWBVUFRS-SEYXRHQNSA-N
Compound name
bis(1-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

370.3685 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.375776 203.9
[M+Na]+ 393.357718 203.1
[M-H]- 369.361224 200.3
[M+NH4]+ 388.402323 215.6
[M+K]+ 409.331658 193.6
[M+H-H2O]+ 353.365760 199.9
[M+HCOO]- 415.366701 227.9
[M+CH3COO]- 429.382351 217.7
[M+Na-2H]- 391.343166 202.6
[M]+ 370.36795142 207.4
[M]- 370.36904858 207.4
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.