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]+ 186.18524 148.4
[M+Na]+ 208.16718 152.8
[M-H]- 184.17068 149.5
[M+NH4]+ 203.21178 168.7
[M+K]+ 224.14112 153.4
[M+H-H2O]+ 168.17522 142.7
[M+HCOO]- 230.17616 170.5
[M+CH3COO]- 244.19181 193.5
[M+Na-2H]- 206.15263 149.7
[M]+ 185.17741 151.5
[M]- 185.17851 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.