CID 45960

Tl-1313

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CC(C)C1=C(C=CC(=C1)[N+](C)(C)C)OC(=O)N(C)C
InChI
InChI=1S/C15H25N2O2/c1-11(2)13-10-12(17(5,6)7)8-9-14(13)19-15(18)16(3)4/h8-11H,1-7H3/q+1
InChIKey
CTVAZXJCDHHGNF-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)-3-propan-2-ylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1916 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.198876 160.6
[M+Na]+ 288.180818 166.3
[M-H]- 264.184324 167.4
[M+NH4]+ 283.225423 178.5
[M+K]+ 304.154758 161.5
[M+H-H2O]+ 248.188860 156.8
[M+HCOO]- 310.189801 183.9
[M+CH3COO]- 324.205451 204.3
[M+Na-2H]- 286.166266 165.6
[M]+ 265.19105142 163.5
[M]- 265.19214858 163.5
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.