CID 5626

82668-33-5

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC
InChI
InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
InChIKey
UOLJKAPABHXFRE-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

79
References

138
Patents

277.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 167.6
[M+Na]+ 300.19342 178.1
[M+NH4]+ 295.23802 176.1
[M+K]+ 316.16736 172.6
[M-H]- 276.19692 170.5
[M+Na-2H]- 298.17887 171.3
[M]+ 277.20365 169.8
[M]- 277.20475 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe