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]+ 144.138286 134.0
[M+Na]+ 166.120228 140.1
[M-H]- 142.123734 134.3
[M+NH4]+ 161.164833 155.6
[M+K]+ 182.094168 140.1
[M+H-H2O]+ 126.128270 129.6
[M+HCOO]- 188.129211 156.1
[M+CH3COO]- 202.144861 179.5
[M+Na-2H]- 164.105676 139.6
[M]+ 143.13046142 134.7
[M]- 143.13155858 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

patents stripe