CID 3021946

3-pentanone, 1-(diethylamino)-4,4-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C11H23NO
SMILES
CCN(CC)CCC(=O)C(C)(C)C
InChI
InChI=1S/C11H23NO/c1-6-12(7-2)9-8-10(13)11(3,4)5/h6-9H2,1-5H3
InChIKey
ZVKPGZFNBHCSFD-UHFFFAOYSA-N
Compound name
1-(diethylamino)-4,4-dimethylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.17796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.185236 147.0
[M+Na]+ 208.167178 152.2
[M-H]- 184.170684 148.4
[M+NH4]+ 203.211783 167.7
[M+K]+ 224.141118 152.8
[M+H-H2O]+ 168.175220 142.0
[M+HCOO]- 230.176161 168.7
[M+CH3COO]- 244.191811 192.2
[M+Na-2H]- 206.152626 150.5
[M]+ 185.17741142 150.3
[M]- 185.17850858 150.3
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