CID 45962

Tl-599

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CC(C)C1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C15H25N2O2/c1-11(2)13-10-12(19-15(18)16(3)4)8-9-14(13)17(5,6)7/h8-11H,1-7H3/q+1
InChIKey
BKYCILOWJJUJRU-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)-2-propan-2-ylphenyl]-trimethylazanium
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]+ 266.19888 160.6
[M+Na]+ 288.18082 166.3
[M-H]- 264.18432 167.4
[M+NH4]+ 283.22542 178.5
[M+K]+ 304.15476 161.5
[M+H-H2O]+ 248.18886 156.8
[M+HCOO]- 310.18980 183.9
[M+CH3COO]- 324.20545 204.3
[M+Na-2H]- 286.16627 165.6
[M]+ 265.19105 163.5
[M]- 265.19215 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.