CID 10374545

4-(dimethylamino)cyclohexan-1-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CN(C)C1CCC(=O)CC1
InChI
InChI=1S/C8H15NO/c1-9(2)7-3-5-8(10)6-4-7/h7H,3-6H2,1-2H3
InChIKey
LMBFUMXVHAJSNJ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

141.11537 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe