CID 46420

64037-47-4

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)N(C)C(C)(C)C(=O)C
InChI
InChI=1S/C9H19NO/c1-7(2)10(6)9(4,5)8(3)11/h7H,1-6H3
InChIKey
HUVZKWZWNHMTSL-UHFFFAOYSA-N
Compound name
3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 136.8
[M+Na]+ 180.135888 142.6
[M-H]- 156.139394 138.7
[M+NH4]+ 175.180493 158.5
[M+K]+ 196.109828 144.1
[M+H-H2O]+ 140.143930 132.3
[M+HCOO]- 202.144871 158.2
[M+CH3COO]- 216.160521 187.7
[M+Na-2H]- 178.121336 140.2
[M]+ 157.14612142 138.8
[M]- 157.14721858 138.8
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