CID 53749069

Schembl7949630

Structural Information

Molecular Formula
C21H41NO2
SMILES
CCCCCCCCC=CCCCCCCCC(=O)N(C)CCO
InChI
InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(2)19-20-23/h10-11,23H,3-9,12-20H2,1-2H3
InChIKey
CZWLTVDAEFVSGP-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-methyloctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

339.31372 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.320996 195.7
[M+Na]+ 362.302938 196.1
[M-H]- 338.306444 193.3
[M+NH4]+ 357.347543 209.1
[M+K]+ 378.276878 192.6
[M+H-H2O]+ 322.310980 188.0
[M+HCOO]- 384.311921 214.5
[M+CH3COO]- 398.327571 219.5
[M+Na-2H]- 360.288386 192.5
[M]+ 339.31317142 201.9
[M]- 339.31426858 201.9
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

patents stripe