CID 90732

22104-62-7

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(CN(C)C)C(=O)C
InChI
InChI=1S/C7H15NO/c1-6(7(2)9)5-8(3)4/h6H,5H2,1-4H3
InChIKey
SDABKFFSTRDBBD-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.4
[M+Na]+ 152.104588 135.5
[M-H]- 128.108094 131.3
[M+NH4]+ 147.149193 152.0
[M+K]+ 168.078528 137.1
[M+H-H2O]+ 112.112630 124.5
[M+HCOO]- 174.113571 152.9
[M+CH3COO]- 188.129221 181.4
[M+Na-2H]- 150.090036 133.0
[M]+ 129.11482142 131.0
[M]- 129.11591858 131.0
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