CID 46587

Tl-1486

Structural Information

Molecular Formula
C13H21N2O3
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)[N+](C)(C)CCO
InChI
InChI=1S/C13H21N2O3/c1-14(2)13(17)18-12-7-5-11(6-8-12)15(3,4)9-10-16/h5-8,16H,9-10H2,1-4H3/q+1
InChIKey
CKKXXJMZZBHTGE-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)phenyl]-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15521 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16249 156.2
[M+Na]+ 276.14443 167.7
[M+NH4]+ 271.18903 164.1
[M+K]+ 292.11837 164.0
[M-H]- 252.14793 159.7
[M+Na-2H]- 274.12988 162.7
[M]+ 253.15466 159.0
[M]- 253.15576 159.0
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.