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]+ 186.18524 147.0
[M+Na]+ 208.16718 152.2
[M-H]- 184.17068 148.4
[M+NH4]+ 203.21178 167.7
[M+K]+ 224.14112 152.8
[M+H-H2O]+ 168.17522 142.0
[M+HCOO]- 230.17616 168.7
[M+CH3COO]- 244.19181 192.2
[M+Na-2H]- 206.15263 150.5
[M]+ 185.17741 150.3
[M]- 185.17851 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