CID 46946

Tl-1423

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CC[N+](C)(CC)C1=CC(=C(C=C1)C)OC(=O)N(C)C
InChI
InChI=1S/C15H25N2O2/c1-7-17(6,8-2)13-10-9-12(3)14(11-13)19-15(18)16(4)5/h9-11H,7-8H2,1-6H3/q+1
InChIKey
NHHXGKVPLXQIFS-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)-4-methylphenyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1916 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.198876 161.5
[M+Na]+ 288.180818 167.4
[M-H]- 264.184324 168.2
[M+NH4]+ 283.225423 179.4
[M+K]+ 304.154758 162.0
[M+H-H2O]+ 248.188860 157.5
[M+HCOO]- 310.189801 185.7
[M+CH3COO]- 324.205451 203.6
[M+Na-2H]- 286.166266 167.6
[M]+ 265.19105142 165.1
[M]- 265.19214858 165.1
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.