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 156.3
[M+Na]+ 276.14443 161.6
[M-H]- 252.14793 161.5
[M+NH4]+ 271.18903 173.6
[M+K]+ 292.11837 156.3
[M+H-H2O]+ 236.15247 152.4
[M+HCOO]- 298.15341 179.9
[M+CH3COO]- 312.16906 195.7
[M+Na-2H]- 274.12988 163.7
[M]+ 253.15466 158.3
[M]- 253.15576 158.3
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.