CID 212249

24000-88-2

Structural Information

Molecular Formula
C13H20NO2
SMILES
C[N+](C)(CCC(=O)C1=CC=CC=C1)CCO
InChI
InChI=1S/C13H20NO2/c1-14(2,10-11-15)9-8-13(16)12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3/q+1
InChIKey
WCFRPTHICFGYDT-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-(3-oxo-3-phenylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1494 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15668 150.6
[M+Na]+ 245.13862 155.8
[M-H]- 221.14212 154.0
[M+NH4]+ 240.18322 168.5
[M+K]+ 261.11256 148.4
[M+H-H2O]+ 205.14666 147.4
[M+HCOO]- 267.14760 172.6
[M+CH3COO]- 281.16325 185.6
[M+Na-2H]- 243.12407 158.9
[M]+ 222.14885 150.6
[M]- 222.14995 150.6
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.