CID 19711

6,6-dimethyl-7-(dimethylamino)-3-nonanone

Structural Information

Molecular Formula
C13H27NO
SMILES
CCC(C(C)(C)CCC(=O)CC)N(C)C
InChI
InChI=1S/C13H27NO/c1-7-11(15)9-10-13(3,4)12(8-2)14(5)6/h12H,7-10H2,1-6H3
InChIKey
ZGGUOBNQEFFBRO-UHFFFAOYSA-N
Compound name
7-(dimethylamino)-6,6-dimethylnonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.20926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.21654 155.9
[M+Na]+ 236.19848 160.0
[M-H]- 212.20198 157.0
[M+NH4]+ 231.24308 175.2
[M+K]+ 252.17242 160.5
[M+H-H2O]+ 196.20652 150.6
[M+HCOO]- 258.20746 175.9
[M+CH3COO]- 272.22311 199.8
[M+Na-2H]- 234.18393 157.0
[M]+ 213.20871 159.3
[M]- 213.20981 159.3
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.