CID 10355398

Cyclexanone

Structural Information

Molecular Formula
C16H25NO2
SMILES
C1CC=C(C1)C2(CCCC2=O)CCN3CCOCC3
InChI
InChI=1S/C16H25NO2/c18-15-6-3-7-16(15,14-4-1-2-5-14)8-9-17-10-12-19-13-11-17/h4H,1-3,5-13H2
InChIKey
KUOYUNPLUMKQIF-UHFFFAOYSA-N
Compound name
2-(cyclopenten-1-yl)-2-(2-morpholin-4-ylethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

263.18854 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.3
[M+Na]+ 286.17776 167.1
[M-H]- 262.18126 171.7
[M+NH4]+ 281.22236 182.7
[M+K]+ 302.15170 165.3
[M+H-H2O]+ 246.18580 156.8
[M+HCOO]- 308.18674 180.7
[M+CH3COO]- 322.20239 174.6
[M+Na-2H]- 284.16321 163.3
[M]+ 263.18799 158.4
[M]- 263.18909 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe