CID 19931436

6-methylnonan-2-one

Structural Information

Molecular Formula
C10H20O
SMILES
CCCC(C)CCCC(=O)C
InChI
InChI=1S/C10H20O/c1-4-6-9(2)7-5-8-10(3)11/h9H,4-8H2,1-3H3
InChIKey
HTQPOMZKAGSTQI-UHFFFAOYSA-N
Compound name
6-methylnonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

156.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 139.3
[M+Na]+ 179.14063 144.8
[M-H]- 155.14413 139.2
[M+NH4]+ 174.18523 160.5
[M+K]+ 195.11457 144.4
[M+H-H2O]+ 139.14867 134.5
[M+HCOO]- 201.14961 160.3
[M+CH3COO]- 215.16526 182.1
[M+Na-2H]- 177.12608 141.9
[M]+ 156.15086 141.6
[M]- 156.15196 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe