CID 13085448

2-(diethylamino)cyclohexan-1-one

Structural Information

Molecular Formula
C10H19NO
SMILES
CCN(CC)C1CCCCC1=O
InChI
InChI=1S/C10H19NO/c1-3-11(4-2)9-7-5-6-8-10(9)12/h9H,3-8H2,1-2H3
InChIKey
UNWHEYKBHKVKGQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.15395 139.3
[M+Na]+ 192.13589 143.6
[M-H]- 168.13939 143.4
[M+NH4]+ 187.18049 160.1
[M+K]+ 208.10983 143.5
[M+H-H2O]+ 152.14393 133.2
[M+HCOO]- 214.14487 161.1
[M+CH3COO]- 228.16052 186.1
[M+Na-2H]- 190.12134 142.8
[M]+ 169.14612 136.9
[M]- 169.14722 136.9
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