CID 78739

5039-78-1

Structural Information

Molecular Formula
C9H18NO2
SMILES
CC(=C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C9H18NO2/c1-8(2)9(11)12-7-6-10(3,4)5/h1,6-7H2,2-5H3/q+1
InChIKey
USFMMZYROHDWPJ-UHFFFAOYSA-N
Compound name
trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

82
References

33460
Patents

172.13376 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.14104 136.1
[M+Na]+ 195.12298 142.4
[M-H]- 171.12648 138.2
[M+NH4]+ 190.16758 157.1
[M+K]+ 211.09692 137.7
[M+H-H2O]+ 155.13102 134.5
[M+HCOO]- 217.13196 158.5
[M+CH3COO]- 231.14761 180.0
[M+Na-2H]- 193.10843 143.3
[M]+ 172.13321 137.5
[M]- 172.13431 137.5
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

No patent data available for this compound.