CID 83146

44992-01-0

Structural Information

Molecular Formula
C8H16NO2
SMILES
C[N+](C)(C)CCOC(=O)C=C
InChI
InChI=1S/C8H16NO2/c1-5-8(10)11-7-6-9(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChIKey
AIUAMYPYEUQVEM-UHFFFAOYSA-N
Compound name
trimethyl(2-prop-2-enoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

16310
Patents

158.1181 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.125376 131.8
[M+Na]+ 181.107318 138.8
[M-H]- 157.110824 134.0
[M+NH4]+ 176.151923 153.5
[M+K]+ 197.081258 133.9
[M+H-H2O]+ 141.115360 130.3
[M+HCOO]- 203.116301 155.6
[M+CH3COO]- 217.131951 176.3
[M+Na-2H]- 179.092766 140.7
[M]+ 158.11755142 133.6
[M]- 158.11864858 133.6
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