CID 154866230

3-[(dimethylamino)methyl]octan-2-one

Structural Information

Molecular Formula
C11H23NO
SMILES
CCCCCC(CN(C)C)C(=O)C
InChI
InChI=1S/C11H23NO/c1-5-6-7-8-11(10(2)13)9-12(3)4/h11H,5-9H2,1-4H3
InChIKey
ZWUUSLRDEDLBHP-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.17796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.185236 148.4
[M+Na]+ 208.167178 152.8
[M-H]- 184.170684 149.5
[M+NH4]+ 203.211783 168.7
[M+K]+ 224.141118 153.4
[M+H-H2O]+ 168.175220 142.7
[M+HCOO]- 230.176161 170.5
[M+CH3COO]- 244.191811 193.5
[M+Na-2H]- 206.152626 149.7
[M]+ 185.17741142 151.5
[M]- 185.17850858 151.5
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

No patent data available for this compound.