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]+ 258.18526 164.9
[M+Na]+ 280.16720 169.9
[M-H]- 256.17070 169.6
[M+NH4]+ 275.21180 187.1
[M+K]+ 296.14114 166.1
[M+H-H2O]+ 240.17524 159.3
[M+HCOO]- 302.17618 184.3
[M+CH3COO]- 316.19183 200.6
[M+Na-2H]- 278.15265 164.3
[M]+ 257.17743 163.1
[M]- 257.17853 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.