CID 32906

(3-oxopentyl)trimethylammonium iodide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.13884 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.14612 129.8
[M+Na]+ 167.12806 136.5
[M-H]- 143.13156 132.0
[M+NH4]+ 162.17266 152.1
[M+K]+ 183.10200 131.7
[M+H-H2O]+ 127.13610 128.4
[M+HCOO]- 189.13704 153.1
[M+CH3COO]- 203.15269 176.2
[M+Na-2H]- 165.11351 138.6
[M]+ 144.13829 130.9
[M]- 144.13939 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

No literature data available for this compound.

Patent stripe

patents stripe