CID 46420

3-(n-methylisopropylamino)-3-methyl-2-butanone hydrochloride

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]+ 158.15395 136.8
[M+Na]+ 180.13589 142.6
[M-H]- 156.13939 138.7
[M+NH4]+ 175.18049 158.5
[M+K]+ 196.10983 144.1
[M+H-H2O]+ 140.14393 132.3
[M+HCOO]- 202.14487 158.2
[M+CH3COO]- 216.16052 187.7
[M+Na-2H]- 178.12134 140.2
[M]+ 157.14612 138.8
[M]- 157.14722 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