CID 583823

59856-06-3

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)NC1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
WOYOJAPRKMBKEU-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

234
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.4
[M+Na]+ 198.088938 144.4
[M-H]- 174.092444 141.9
[M+NH4]+ 193.133543 160.2
[M+K]+ 214.062878 141.9
[M+H-H2O]+ 158.096980 131.8
[M+HCOO]- 220.097921 161.0
[M+CH3COO]- 234.113571 182.3
[M+Na-2H]- 196.074386 142.7
[M]+ 175.09917142 135.7
[M]- 175.10026858 135.7
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.