CID 4624129

71173-03-0

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC(=O)N(C1=CC=CC2=C1CCCC2)C(=O)C
InChI
InChI=1S/C14H17NO2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9H,3-4,6,8H2,1-2H3
InChIKey
SJNKBSDZXMRLBA-UHFFFAOYSA-N
Compound name
N-acetyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 151.8
[M+Na]+ 254.11515 156.7
[M-H]- 230.11865 157.0
[M+NH4]+ 249.15975 170.9
[M+K]+ 270.08909 155.5
[M+H-H2O]+ 214.12319 145.1
[M+HCOO]- 276.12413 172.1
[M+CH3COO]- 290.13978 196.8
[M+Na-2H]- 252.10060 155.2
[M]+ 231.12538 150.4
[M]- 231.12648 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.