CID 151806

Acetonyltrimethylammonium

Structural Information

Molecular Formula
C6H14NO
SMILES
CC(=O)C[N+](C)(C)C
InChI
InChI=1S/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1
InChIKey
LFWNPKYGVKNNAB-UHFFFAOYSA-N
Compound name
trimethyl(2-oxopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

165
Patents

116.10754 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.114816 120.1
[M+Na]+ 139.096758 127.6
[M-H]- 115.100264 122.6
[M+NH4]+ 134.141363 143.5
[M+K]+ 155.070698 123.4
[M+H-H2O]+ 99.104800 119.1
[M+HCOO]- 161.105741 144.1
[M+CH3COO]- 175.121391 170.1
[M+Na-2H]- 137.082206 130.0
[M]+ 116.10699142 120.5
[M]- 116.10808858 120.5
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