CID 47043

Tl-1448

Structural Information

Molecular Formula
C14H21N2O2
SMILES
CC1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)CC=C
InChI
InChI=1S/C14H20N2O2/c1-6-9-16(4,5)13-8-7-12(10-11(13)2)18-14(17)15-3/h6-8,10H,1,9H2,2-5H3/p+1
InChIKey
IOZYTDQMGKFSBG-UHFFFAOYSA-O
Compound name
dimethyl-[2-methyl-4-(methylcarbamoyloxy)phenyl]-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.16031 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16759 157.0
[M+Na]+ 272.14953 169.5
[M+NH4]+ 267.19413 165.1
[M+K]+ 288.12347 164.3
[M-H]- 248.15303 160.9
[M+Na-2H]- 270.13498 163.7
[M]+ 249.15976 160.1
[M]- 249.16086 160.1
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.