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

412
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 130.0
[M+Na]+ 164.104588 135.2
[M-H]- 140.108094 134.5
[M+NH4]+ 159.149193 151.9
[M+K]+ 180.078528 135.6
[M+H-H2O]+ 124.112630 124.3
[M+HCOO]- 186.113571 152.5
[M+CH3COO]- 200.129221 180.0
[M+Na-2H]- 162.090036 134.6
[M]+ 141.11482142 126.8
[M]- 141.11591858 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