CID 212312

24070-46-0

Structural Information

Molecular Formula
C14H22NO2
SMILES
C[N+](C)(CCCC(=O)C1=CC=CC=C1)CCO
InChI
InChI=1S/C14H22NO2/c1-15(2,11-12-16)10-6-9-14(17)13-7-4-3-5-8-13/h3-5,7-8,16H,6,9-12H2,1-2H3/q+1
InChIKey
UNHJYIPVDDKEGS-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.16505 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17233 155.4
[M+Na]+ 259.15427 160.1
[M-H]- 235.15777 158.6
[M+NH4]+ 254.19887 172.7
[M+K]+ 275.12821 152.5
[M+H-H2O]+ 219.16231 151.9
[M+HCOO]- 281.16325 177.0
[M+CH3COO]- 295.17890 188.6
[M+Na-2H]- 257.13972 163.1
[M]+ 236.16450 155.7
[M]- 236.16560 155.7
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.