CID 3048729

1-(dimethylamino)-2-methyl-3-pentanone

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC(=O)C(C)CN(C)C
InChI
InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
InChIKey
QVWGKOYVOZJNRJ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-2-methylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.2
[M+Na]+ 166.120228 139.8
[M-H]- 142.123734 135.8
[M+NH4]+ 161.164833 156.2
[M+K]+ 182.094168 141.2
[M+H-H2O]+ 126.128270 129.1
[M+HCOO]- 188.129211 157.3
[M+CH3COO]- 202.144861 184.4
[M+Na-2H]- 164.105676 137.2
[M]+ 143.13046142 136.2
[M]- 143.13155858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe