CID 47023

Tl-1460

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CCCC1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C15H25N2O2/c1-7-8-12-11-13(19-15(18)16(2)3)9-10-14(12)17(4,5)6/h9-11H,7-8H2,1-6H3/q+1
InChIKey
RRHVFJHKBYCDFH-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)-2-propylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1916 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19888 161.5
[M+Na]+ 288.18082 167.4
[M-H]- 264.18432 168.2
[M+NH4]+ 283.22542 179.4
[M+K]+ 304.15476 162.0
[M+H-H2O]+ 248.18886 157.5
[M+HCOO]- 310.18980 185.7
[M+CH3COO]- 324.20545 203.6
[M+Na-2H]- 286.16627 167.6
[M]+ 265.19105 165.1
[M]- 265.19215 165.1
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.