CID 111259

Nsc 11874

Structural Information

Molecular Formula
C18H31N2O2
SMILES
CCN(CC)C(=O)OC1=C(C=C(C(=C1)C)[N+](C)(C)C)C(C)C
InChI
InChI=1S/C18H31N2O2/c1-9-19(10-2)18(21)22-17-11-14(5)16(20(6,7)8)12-15(17)13(3)4/h11-13H,9-10H2,1-8H3/q+1
InChIKey
KPVVFINVOFLLEP-UHFFFAOYSA-N
Compound name
[4-(diethylcarbamoyloxy)-2-methyl-5-propan-2-ylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23856 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.24584 175.2
[M+Na]+ 330.22778 187.1
[M+NH4]+ 325.27238 183.0
[M+K]+ 346.20172 182.6
[M-H]- 306.23128 179.4
[M+Na-2H]- 328.21323 180.6
[M]+ 307.23801 178.4
[M]- 307.23911 178.4
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.