CID 46014

Tl-1475

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CCCCC1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C15H24N2O2/c1-6-7-8-12-11-13(19-15(18)16-2)9-10-14(12)17(3,4)5/h9-11H,6-8H2,1-5H3/p+1
InChIKey
QXLATDGTRMGYAB-UHFFFAOYSA-O
Compound name
[2-butyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1916 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.198876 162.2
[M+Na]+ 288.180818 168.0
[M-H]- 264.184324 167.4
[M+NH4]+ 283.225423 179.5
[M+K]+ 304.154758 161.2
[M+H-H2O]+ 248.188860 158.4
[M+HCOO]- 310.189801 186.0
[M+CH3COO]- 324.205451 200.1
[M+Na-2H]- 286.166266 169.0
[M]+ 265.19105142 164.6
[M]- 265.19214858 164.6
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.