CID 46566

Tl-1435

Structural Information

Molecular Formula
C13H19N2O2
SMILES
CNC(=O)OC1=CC=CC(=C1)[N+](C)(C)CC=C
InChI
InChI=1S/C13H18N2O2/c1-5-9-15(3,4)11-7-6-8-12(10-11)17-13(16)14-2/h5-8,10H,1,9H2,2-4H3/p+1
InChIKey
FPHMTTYURYWHHD-UHFFFAOYSA-O
Compound name
dimethyl-[3-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.14465 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15193 152.6
[M+Na]+ 258.13387 165.0
[M+NH4]+ 253.17847 161.0
[M+K]+ 274.10781 159.8
[M-H]- 234.13737 156.6
[M+Na-2H]- 256.11932 159.8
[M]+ 235.14410 155.7
[M]- 235.14520 155.7
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

No patent data available for this compound.