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]+ 266.19888 162.2
[M+Na]+ 288.18082 168.0
[M-H]- 264.18432 167.4
[M+NH4]+ 283.22542 179.5
[M+K]+ 304.15476 161.2
[M+H-H2O]+ 248.18886 158.4
[M+HCOO]- 310.18980 186.0
[M+CH3COO]- 324.20545 200.1
[M+Na-2H]- 286.16627 169.0
[M]+ 265.19105 164.6
[M]- 265.19215 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.