CID 6861

1-naphthaleneacetamide

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)N
InChI
InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
InChIKey
XFNJVKMNNVCYEK-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

8153
Patents

185.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.091336 138.2
[M+Na]+ 208.073278 145.9
[M-H]- 184.076784 142.4
[M+NH4]+ 203.117883 158.5
[M+K]+ 224.047218 142.4
[M+H-H2O]+ 168.081320 132.0
[M+HCOO]- 230.082261 161.5
[M+CH3COO]- 244.097911 185.1
[M+Na-2H]- 206.058726 145.5
[M]+ 185.08351142 136.7
[M]- 185.08460858 136.7
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