CID 19794

2-nonynamide

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCCCCC#CC(=O)N
InChI
InChI=1S/C9H15NO/c1-2-3-4-5-6-7-8-9(10)11/h2-6H2,1H3,(H2,10,11)
InChIKey
BXJPDSYWRJBHOS-UHFFFAOYSA-N
Compound name
non-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

153.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 135.9
[M+Na]+ 176.10459 143.7
[M-H]- 152.10809 134.8
[M+NH4]+ 171.14919 154.4
[M+K]+ 192.07853 141.6
[M+H-H2O]+ 136.11263 124.9
[M+HCOO]- 198.11357 153.1
[M+CH3COO]- 212.12922 187.6
[M+Na-2H]- 174.09004 138.8
[M]+ 153.11482 130.5
[M]- 153.11592 130.5
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