CID 88927730

4,4-dimethyl-1-(methylamino)pentan-3-one hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)(C)C(=O)CCNC
InChI
InChI=1S/C8H17NO/c1-8(2,3)7(10)5-6-9-4/h9H,5-6H2,1-4H3
InChIKey
XGVULZGBMCDXTI-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-(methylamino)pentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.0
[M+Na]+ 166.12023 140.1
[M-H]- 142.12373 134.3
[M+NH4]+ 161.16483 155.6
[M+K]+ 182.09417 140.1
[M+H-H2O]+ 126.12827 129.6
[M+HCOO]- 188.12921 156.1
[M+CH3COO]- 202.14486 179.5
[M+Na-2H]- 164.10568 139.6
[M]+ 143.13046 134.7
[M]- 143.13156 134.7
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

No patent data available for this compound.