CID 3799794

2-cyano-n-hexadecyl-acetamide

Structural Information

Molecular Formula
C19H36N2O
SMILES
CCCCCCCCCCCCCCCCNC(=O)CC#N
InChI
InChI=1S/C19H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20/h2-16,18H2,1H3,(H,21,22)
InChIKey
HKZSRFNJSOUMAK-UHFFFAOYSA-N
Compound name
2-cyano-N-hexadecylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

308.28278 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.29006 176.3
[M+Na]+ 331.27200 179.7
[M-H]- 307.27550 175.0
[M+NH4]+ 326.31660 189.5
[M+K]+ 347.24594 176.5
[M+H-H2O]+ 291.28004 162.7
[M+HCOO]- 353.28098 193.3
[M+CH3COO]- 367.29663 222.5
[M+Na-2H]- 329.25745 176.2
[M]+ 308.28223 176.3
[M]- 308.28333 176.3
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