CID 11185111

Tetracainen-oxide

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCC[N+](C)(C)[O-]
InChI
InChI=1S/C15H24N2O3/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)20-12-11-17(2,3)19/h6-9,16H,4-5,10-12H2,1-3H3
InChIKey
VGCNHTQKPJXAHJ-UHFFFAOYSA-N
Compound name
2-[4-(butylamino)benzoyl]oxy-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 166.0
[M+Na]+ 303.16790 170.1
[M-H]- 279.17140 168.9
[M+NH4]+ 298.21250 181.3
[M+K]+ 319.14184 163.6
[M+H-H2O]+ 263.17594 163.8
[M+HCOO]- 325.17688 189.3
[M+CH3COO]- 339.19253 198.4
[M+Na-2H]- 301.15335 172.7
[M]+ 280.17813 167.0
[M]- 280.17923 167.0
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.