CID 2780333

4-(dimethylamino)-3,3-dimethylbutan-2-one hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(=O)C(C)(C)CN(C)C
InChI
InChI=1S/C8H17NO/c1-7(10)8(2,3)6-9(4)5/h6H2,1-5H3
InChIKey
LXYPWJFDIBGUID-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 132.6
[M+Na]+ 166.12023 139.0
[M-H]- 142.12373 134.5
[M+NH4]+ 161.16483 154.8
[M+K]+ 182.09417 140.3
[M+H-H2O]+ 126.12827 128.2
[M+HCOO]- 188.12921 155.3
[M+CH3COO]- 202.14486 183.8
[M+Na-2H]- 164.10568 137.7
[M]+ 143.13046 134.8
[M]- 143.13156 134.8
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