CID 46570

Tl-1456

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.14465 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15193 152.0
[M+Na]+ 258.13387 158.1
[M-H]- 234.13737 157.2
[M+NH4]+ 253.17847 170.1
[M+K]+ 274.10781 151.0
[M+H-H2O]+ 218.14191 148.4
[M+HCOO]- 280.14285 176.7
[M+CH3COO]- 294.15850 191.8
[M+Na-2H]- 256.11932 160.5
[M]+ 235.14410 152.6
[M]- 235.14520 152.6
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.