CID 3041051

1-(dimethylamino)-4,4-dimethylpentan-3-one hydrochloride

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

55
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.6
[M+Na]+ 180.13589 143.6
[M-H]- 156.13939 139.3
[M+NH4]+ 175.18049 159.3
[M+K]+ 196.10983 144.7
[M+H-H2O]+ 140.14393 132.9
[M+HCOO]- 202.14487 159.9
[M+CH3COO]- 216.16052 186.2
[M+Na-2H]- 178.12134 142.1
[M]+ 157.14612 140.1
[M]- 157.14722 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