CID 47041

Tl-1261

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.16031 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16759 156.1
[M+Na]+ 272.14953 162.6
[M-H]- 248.15303 161.5
[M+NH4]+ 267.19413 173.9
[M+K]+ 288.12347 155.3
[M+H-H2O]+ 232.15757 152.5
[M+HCOO]- 294.15851 180.3
[M+CH3COO]- 308.17416 196.0
[M+Na-2H]- 270.13498 163.4
[M]+ 249.15976 157.3
[M]- 249.16086 157.3
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.