CID 3021251

3-methyl-4-(morpholinomethyl)-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC1CC(=O)C2=C1C(CCC2)CN3CCOCC3
InChI
InChI=1S/C15H23NO2/c1-11-9-14(17)13-4-2-3-12(15(11)13)10-16-5-7-18-8-6-16/h11-12H,2-10H2,1H3
InChIKey
DBFWPLVTVPFYSO-UHFFFAOYSA-N
Compound name
3-methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.8
[M+Na]+ 272.16210 164.2
[M-H]- 248.16560 165.2
[M+NH4]+ 267.20670 177.0
[M+K]+ 288.13604 161.9
[M+H-H2O]+ 232.17014 152.4
[M+HCOO]- 294.17108 174.1
[M+CH3COO]- 308.18673 194.1
[M+Na-2H]- 270.14755 160.1
[M]+ 249.17233 154.5
[M]- 249.17343 154.5
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.