CID 47064

Ar-34

Structural Information

Molecular Formula
C16H23N2O2
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)N(CC=C)CC=C
InChI
InChI=1S/C16H23N2O2/c1-6-11-17(12-7-2)16(19)20-15-10-8-9-14(13-15)18(3,4)5/h6-10,13H,1-2,11-12H2,3-5H3/q+1
InChIKey
ZYERYCWLVPCOEK-UHFFFAOYSA-N
Compound name
[3-[bis(prop-2-enyl)carbamoyloxy]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17596 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18324 164.3
[M+Na]+ 298.16518 169.5
[M-H]- 274.16868 170.5
[M+NH4]+ 293.20978 181.3
[M+K]+ 314.13912 162.6
[M+H-H2O]+ 258.17322 160.0
[M+HCOO]- 320.17416 188.7
[M+CH3COO]- 334.18981 203.3
[M+Na-2H]- 296.15063 170.6
[M]+ 275.17541 166.5
[M]- 275.17651 166.5
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.