CID 3058669

75463-48-8

Structural Information

Molecular Formula
C17H23NO
SMILES
CC(C)CC(=O)NC1CCC2=C1C=C3CCCC3=C2
InChI
InChI=1S/C17H23NO/c1-11(2)8-17(19)18-16-7-6-14-9-12-4-3-5-13(12)10-15(14)16/h9-11,16H,3-8H2,1-2H3,(H,18,19)
InChIKey
PJVRBJNCTZYKOZ-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 164.9
[M+Na]+ 280.167198 169.9
[M-H]- 256.170704 169.6
[M+NH4]+ 275.211803 187.1
[M+K]+ 296.141138 166.1
[M+H-H2O]+ 240.175240 159.3
[M+HCOO]- 302.176181 184.3
[M+CH3COO]- 316.191831 200.6
[M+Na-2H]- 278.152646 164.3
[M]+ 257.17743142 163.1
[M]- 257.17852858 163.1
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.