CID 78739

Unii-pp88r88k3o

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
2
Annotation Hits

82
References

32457
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

literature stripe

Patent stripe

patents stripe