CID 88016

Acetamide, n-(1-naphthalenylmethyl)-

Structural Information

Molecular Formula
C13H13NO
SMILES
CC(=O)NCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H13NO/c1-10(15)14-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H,14,15)
InChIKey
SSOWOQCKTBJMET-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

199.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 142.4
[M+Na]+ 222.088938 149.7
[M-H]- 198.092444 147.0
[M+NH4]+ 217.133543 162.5
[M+K]+ 238.062878 146.4
[M+H-H2O]+ 182.096980 136.0
[M+HCOO]- 244.097921 166.1
[M+CH3COO]- 258.113571 188.1
[M+Na-2H]- 220.074386 150.3
[M]+ 199.09917142 142.2
[M]- 199.10026858 142.2
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