CID 232065

1-acetamido-5,6,7,8-tetrahydronaphthalene

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(=O)NC1=CC=CC2=C1CCCC2
InChI
InChI=1S/C12H15NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)
InChIKey
NAJYMWNQSHRCGP-UHFFFAOYSA-N
Compound name
N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 140.6
[M+Na]+ 212.104588 146.2
[M-H]- 188.108094 144.5
[M+NH4]+ 207.149193 160.9
[M+K]+ 228.078528 143.5
[M+H-H2O]+ 172.112630 134.4
[M+HCOO]- 234.113571 161.6
[M+CH3COO]- 248.129221 185.8
[M+Na-2H]- 210.090036 146.9
[M]+ 189.11482142 137.1
[M]- 189.11591858 137.1
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