CID 132989232

2749282-62-8

Structural Information

Molecular Formula
C15H21NO
SMILES
CCCC(C(=O)C1=CC2=C(CCC2)C=C1)NC
InChI
InChI=1S/C15H21NO/c1-3-5-14(16-2)15(17)13-9-8-11-6-4-7-12(11)10-13/h8-10,14,16H,3-7H2,1-2H3
InChIKey
ZCTUUSNQUQURDL-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 156.7
[M+Na]+ 254.151528 161.5
[M-H]- 230.155034 160.4
[M+NH4]+ 249.196133 177.0
[M+K]+ 270.125468 158.5
[M+H-H2O]+ 214.159570 150.4
[M+HCOO]- 276.160511 177.8
[M+CH3COO]- 290.176161 196.0
[M+Na-2H]- 252.136976 158.5
[M]+ 231.16176142 155.9
[M]- 231.16285858 155.9
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.