CID 162074

46830-22-2

Structural Information

Molecular Formula
C14H20NO2
SMILES
C[N+](C)(CCOC(=O)C=C)CC1=CC=CC=C1
InChI
InChI=1S/C14H20NO2/c1-4-14(16)17-11-10-15(2,3)12-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3/q+1
InChIKey
CQLNQGQDXMGDBC-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2533
Patents

234.1494 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15668 153.4
[M+Na]+ 257.13862 166.5
[M+NH4]+ 252.18322 162.1
[M+K]+ 273.11256 160.5
[M-H]- 233.14212 157.1
[M+Na-2H]- 255.12407 160.9
[M]+ 234.14885 156.7
[M]- 234.14995 156.7
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

patents stripe