CID 18579

3215-86-9

Structural Information

Molecular Formula
C11H23NO
SMILES
CC(C(C)(C)CCC(=O)C)N(C)C
InChI
InChI=1S/C11H23NO/c1-9(13)7-8-11(3,4)10(2)12(5)6/h10H,7-8H2,1-6H3
InChIKey
UOSURFXGYURIGP-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-5,5-dimethylheptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.18524 146.4
[M+Na]+ 208.16718 151.3
[M-H]- 184.17068 147.9
[M+NH4]+ 203.21178 166.9
[M+K]+ 224.14112 152.3
[M+H-H2O]+ 168.17522 141.5
[M+HCOO]- 230.17616 167.1
[M+CH3COO]- 244.19181 193.8
[M+Na-2H]- 206.15263 148.6
[M]+ 185.17741 149.1
[M]- 185.17851 149.1
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

No patent data available for this compound.