CID 91420

Trimethyl(4-oxopentyl)ammonium iodide

Structural Information

Molecular Formula
C8H18NO
SMILES
CC(=O)CCC[N+](C)(C)C
InChI
InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
UKCYTFTWLWVZSO-UHFFFAOYSA-N
Compound name
trimethyl(4-oxopentyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

11
Patents

144.13884 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.146116 129.8
[M+Na]+ 167.128058 136.5
[M-H]- 143.131564 132.0
[M+NH4]+ 162.172663 152.1
[M+K]+ 183.101998 131.7
[M+H-H2O]+ 127.136100 128.4
[M+HCOO]- 189.137041 153.1
[M+CH3COO]- 203.152691 176.2
[M+Na-2H]- 165.113506 138.6
[M]+ 144.13829142 130.9
[M]- 144.13938858 130.9
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