CID 46568

Tl-1470

Structural Information

Molecular Formula
C14H21N2O2
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)[N+](C)(C)CC=C
InChI
InChI=1S/C14H21N2O2/c1-6-11-16(4,5)12-7-9-13(10-8-12)18-14(17)15(2)3/h6-10H,1,11H2,2-5H3/q+1
InChIKey
YPNBABGPUOALDD-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)phenyl]-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.16031 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16759 156.2
[M+Na]+ 272.14953 161.9
[M-H]- 248.15303 162.7
[M+NH4]+ 267.19413 174.3
[M+K]+ 288.12347 156.1
[M+H-H2O]+ 232.15757 152.2
[M+HCOO]- 294.15851 181.0
[M+CH3COO]- 308.17416 198.3
[M+Na-2H]- 270.13498 163.4
[M]+ 249.15976 158.3
[M]- 249.16086 158.3
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.