CID 45988

Sb-16

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CCC1=CC(=C(C=C1)[N+](C)(C)C)OC(=O)N(C)C
InChI
InChI=1S/C14H23N2O2/c1-7-11-8-9-12(16(4,5)6)13(10-11)18-14(17)15(2)3/h8-10H,7H2,1-6H3/q+1
InChIKey
WYFJVYCPIIKKOO-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)-4-ethylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

251.17595 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.183226 156.6
[M+Na]+ 274.165168 163.0
[M-H]- 250.168674 163.5
[M+NH4]+ 269.209773 175.1
[M+K]+ 290.139108 157.8
[M+H-H2O]+ 234.173210 152.8
[M+HCOO]- 296.174151 181.2
[M+CH3COO]- 310.189801 200.5
[M+Na-2H]- 272.150616 163.3
[M]+ 251.17540142 159.8
[M]- 251.17649858 159.8
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.