CID 32906

Ammonium, (3-oxopentyl)trimethyl-, 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]+ 145.146116 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

No literature data available for this compound.

Patent stripe

patents stripe