CID 13147056

2-(morpholinomethyl)hexahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C14H23NO2
SMILES
C1CCC2C(C1)CC(C2=O)CN3CCOCC3
InChI
InChI=1S/C14H23NO2/c16-14-12(10-15-5-7-17-8-6-15)9-11-3-1-2-4-13(11)14/h11-13H,1-10H2
InChIKey
BORJLAZWVNJEBB-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 156.9
[M+Na]+ 260.16210 159.7
[M-H]- 236.16560 161.6
[M+NH4]+ 255.20670 174.1
[M+K]+ 276.13604 157.8
[M+H-H2O]+ 220.17014 149.3
[M+HCOO]- 282.17108 170.0
[M+CH3COO]- 296.18673 166.8
[M+Na-2H]- 258.14755 157.4
[M]+ 237.17233 149.3
[M]- 237.17343 149.3
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.