CID 13147066

88364-49-2

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC1C2CCCCC2C(=O)C1CN3CCOCC3
InChI
InChI=1S/C15H25NO2/c1-11-12-4-2-3-5-13(12)15(17)14(11)10-16-6-8-18-9-7-16/h11-14H,2-10H2,1H3
InChIKey
UUBKUGYHYGBQDX-UHFFFAOYSA-N
Compound name
3-methyl-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

251.18852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 161.7
[M+Na]+ 274.17774 165.0
[M-H]- 250.18124 166.6
[M+NH4]+ 269.22234 178.6
[M+K]+ 290.15168 162.8
[M+H-H2O]+ 234.18578 154.2
[M+HCOO]- 296.18672 174.3
[M+CH3COO]- 310.20237 194.5
[M+Na-2H]- 272.16319 160.9
[M]+ 251.18797 154.8
[M]- 251.18907 154.8
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.