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

2796
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 154.0
[M+Na]+ 257.13862 159.6
[M-H]- 233.14212 158.7
[M+NH4]+ 252.18322 172.2
[M+K]+ 273.11256 152.3
[M+H-H2O]+ 217.14666 150.4
[M+HCOO]- 279.14760 177.3
[M+CH3COO]- 293.16325 189.7
[M+Na-2H]- 255.12407 162.2
[M]+ 234.14885 155.4
[M]- 234.14995 155.4
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