CID 3018920

80270-68-4

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(=O)NC1CCC2=C(C1)C(=CC=C2)OC
InChI
InChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)
InChIKey
VDJCYVYVTWEIPD-UHFFFAOYSA-N
Compound name
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

115
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.2
[M+Na]+ 242.11515 154.2
[M-H]- 218.11865 152.3
[M+NH4]+ 237.15975 167.5
[M+K]+ 258.08909 151.9
[M+H-H2O]+ 202.12319 141.8
[M+HCOO]- 264.12413 169.1
[M+CH3COO]- 278.13978 192.1
[M+Na-2H]- 240.10060 153.3
[M]+ 219.12538 146.9
[M]- 219.12648 146.9
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