CID 3041051

53400-42-3

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C(=O)CCN(C)C
InChI
InChI=1S/C9H19NO/c1-9(2,3)8(11)6-7-10(4)5/h6-7H2,1-5H3
InChIKey
YZXDDIUXFGJNJN-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-4,4-dimethylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.6
[M+Na]+ 180.135888 143.6
[M-H]- 156.139394 139.3
[M+NH4]+ 175.180493 159.3
[M+K]+ 196.109828 144.7
[M+H-H2O]+ 140.143930 132.9
[M+HCOO]- 202.144871 159.9
[M+CH3COO]- 216.160521 186.2
[M+Na-2H]- 178.121336 142.1
[M]+ 157.14612142 140.1
[M]- 157.14721858 140.1
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