CID 75612

2494-55-5

Structural Information

Molecular Formula
C8H18NO2
SMILES
CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
VVQZRZCFJJZEKN-UHFFFAOYSA-N
Compound name
trimethyl(2-propanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

305
Patents

160.13376 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.14104 133.5
[M+Na]+ 183.12298 140.1
[M-H]- 159.12648 135.6
[M+NH4]+ 178.16758 155.1
[M+K]+ 199.09692 135.8
[M+H-H2O]+ 143.13102 131.8
[M+HCOO]- 205.13196 157.0
[M+CH3COO]- 219.14761 177.4
[M+Na-2H]- 181.10843 142.3
[M]+ 160.13321 135.9
[M]- 160.13431 135.9
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