CID 46564

Tl-1432

Structural Information

Molecular Formula
C15H23N2O2
SMILES
CC[N+](CC)(CC=C)C1=CC=C(C=C1)OC(=O)NC
InChI
InChI=1S/C15H22N2O2/c1-5-12-17(6-2,7-3)13-8-10-14(11-9-13)19-15(18)16-4/h5,8-11H,1,6-7,12H2,2-4H3/p+1
InChIKey
UDECEQDBZXJSGC-UHFFFAOYSA-O
Compound name
diethyl-[4-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17596 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18324 161.6
[M+Na]+ 286.16518 173.6
[M+NH4]+ 281.20978 169.6
[M+K]+ 302.13912 167.9
[M-H]- 262.16868 165.5
[M+Na-2H]- 284.15063 168.3
[M]+ 263.17541 164.6
[M]- 263.17651 164.6
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.