CID 213452

26366-90-5

Structural Information

Molecular Formula
C12H18NO2
SMILES
C[N+](C)(CCO)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H18NO2/c1-13(2,8-9-14)10-12(15)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1
InChIKey
SPGLJDNOTZCOHZ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-phenacylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13376 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14104 145.9
[M+Na]+ 231.12298 151.4
[M-H]- 207.12648 149.4
[M+NH4]+ 226.16758 164.3
[M+K]+ 247.09692 144.3
[M+H-H2O]+ 191.13102 142.8
[M+HCOO]- 253.13196 168.1
[M+CH3COO]- 267.14761 182.6
[M+Na-2H]- 229.10843 154.6
[M]+ 208.13321 145.4
[M]- 208.13431 145.4
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.