CID 87113

N-cyclohexyldocosanamide

Structural Information

Molecular Formula
C28H55NO
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1
InChI
InChI=1S/C28H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(30)29-27-24-21-20-22-25-27/h27H,2-26H2,1H3,(H,29,30)
InChIKey
YGGHZTWWVJKFIT-UHFFFAOYSA-N
Compound name
N-cyclohexyldocosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

421.42838 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.43566 219.9
[M+Na]+ 444.41760 215.1
[M-H]- 420.42110 218.3
[M+NH4]+ 439.46220 229.2
[M+K]+ 460.39154 209.4
[M+H-H2O]+ 404.42564 210.1
[M+HCOO]- 466.42658 233.9
[M+CH3COO]- 480.44223 235.5
[M+Na-2H]- 442.40305 213.9
[M]+ 421.42783 221.5
[M]- 421.42893 221.5
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