CID 82370

N-octylacrylamide

Structural Information

Molecular Formula
C11H21NO
SMILES
CCCCCCCCNC(=O)C=C
InChI
InChI=1S/C11H21NO/c1-3-5-6-7-8-9-10-12-11(13)4-2/h4H,2-3,5-10H2,1H3,(H,12,13)
InChIKey
AWGZKFQMWZYCHF-UHFFFAOYSA-N
Compound name
N-octylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

20804
Patents

183.16231 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 146.7
[M+Na]+ 206.151528 151.5
[M-H]- 182.155034 146.2
[M+NH4]+ 201.196133 166.5
[M+K]+ 222.125468 149.6
[M+H-H2O]+ 166.159570 141.1
[M+HCOO]- 228.160511 169.6
[M+CH3COO]- 242.176161 187.5
[M+Na-2H]- 204.136976 150.1
[M]+ 183.16176142 148.4
[M]- 183.16285858 148.4
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