CID 39431

N-nonylacetamide

Structural Information

Molecular Formula
C11H23NO
SMILES
CCCCCCCCCNC(=O)C
InChI
InChI=1S/C11H23NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h3-10H2,1-2H3,(H,12,13)
InChIKey
JNXJZBAZPJZRFQ-UHFFFAOYSA-N
Compound name
N-nonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

185.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.18524 148.4
[M+Na]+ 208.16718 152.8
[M-H]- 184.17068 147.8
[M+NH4]+ 203.21178 168.1
[M+K]+ 224.14112 151.5
[M+H-H2O]+ 168.17522 142.6
[M+HCOO]- 230.17616 171.0
[M+CH3COO]- 244.19181 188.4
[M+Na-2H]- 206.15263 151.7
[M]+ 185.17741 150.7
[M]- 185.17851 150.7
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