CID 3021245

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

Structural Information

Molecular Formula
C14H21NO2
SMILES
C1CCC2=C(C1)CC(C2=O)CN3CCOCC3
InChI
InChI=1S/C14H21NO2/c16-14-12(10-15-5-7-17-8-6-15)9-11-3-1-2-4-13(11)14/h12H,1-10H2
InChIKey
XKPYNUJWLRCVRM-UHFFFAOYSA-N
Compound name
2-(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

235.15723 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.1
[M+Na]+ 258.14645 159.0
[M-H]- 234.14995 160.2
[M+NH4]+ 253.19105 172.4
[M+K]+ 274.12039 156.9
[M+H-H2O]+ 218.15449 147.5
[M+HCOO]- 280.15543 169.7
[M+CH3COO]- 294.17108 165.6
[M+Na-2H]- 256.13190 156.6
[M]+ 235.15668 149.0
[M]- 235.15778 149.0
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.