CID 6436362

9-octadecenyl (z)-n-methylaminoacetate

Structural Information

Molecular Formula
C21H41NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)CNC
InChI
InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22-2/h10-11,22H,3-9,12-20H2,1-2H3/b11-10-
InChIKey
CHBBKFAHPLPHBY-KHPPLWFESA-N
Compound name
[(Z)-octadec-9-enyl] 2-(methylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1128
Patents

339.31372 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.320996 194.6
[M+Na]+ 362.302938 195.1
[M-H]- 338.306444 192.1
[M+NH4]+ 357.347543 208.0
[M+K]+ 378.276878 191.2
[M+H-H2O]+ 322.310980 186.8
[M+HCOO]- 384.311921 214.4
[M+CH3COO]- 398.327571 218.8
[M+Na-2H]- 360.288386 192.7
[M]+ 339.31317142 201.5
[M]- 339.31426858 201.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe