CID 3021241

2-((propylamino)methyl)-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CCCNCC1CC2=C(C1=O)CCCC2
InChI
InChI=1S/C13H21NO/c1-2-7-14-9-11-8-10-5-3-4-6-12(10)13(11)15/h11,14H,2-9H2,1H3
InChIKey
QQWLOKQDZLULQU-UHFFFAOYSA-N
Compound name
2-(propylaminomethyl)-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 148.9
[M+Na]+ 230.151528 154.0
[M-H]- 206.155034 152.4
[M+NH4]+ 225.196133 170.5
[M+K]+ 246.125468 150.9
[M+H-H2O]+ 190.159570 143.0
[M+HCOO]- 252.160511 169.7
[M+CH3COO]- 266.176161 190.1
[M+Na-2H]- 228.136976 151.6
[M]+ 207.16176142 146.1
[M]- 207.16285858 146.1
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.