CID 138887

2-(dimethylamino)cyclohexan-1-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CN(C)C1CCCCC1=O
InChI
InChI=1S/C8H15NO/c1-9(2)7-5-3-4-6-8(7)10/h7H,3-6H2,1-2H3
InChIKey
JOZKRRZOWRUDEK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

141.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 130.0
[M+Na]+ 164.10459 135.2
[M-H]- 140.10809 134.5
[M+NH4]+ 159.14919 151.9
[M+K]+ 180.07853 135.6
[M+H-H2O]+ 124.11263 124.3
[M+HCOO]- 186.11357 152.5
[M+CH3COO]- 200.12922 180.0
[M+Na-2H]- 162.09004 134.6
[M]+ 141.11482 126.8
[M]- 141.11592 126.8
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