CID 203499

14593-03-4

Structural Information

Molecular Formula
C14H24NO
SMILES
CC[N+](C)(CC)CCC(C1=CC=CC=C1)O
InChI
InChI=1S/C14H24NO/c1-4-15(3,5-2)12-11-14(16)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3/q+1
InChIKey
DBBXPYJOXMNFNV-UHFFFAOYSA-N
Compound name
diethyl-(3-hydroxy-3-phenylpropyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.18579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19307 153.2
[M+Na]+ 245.17501 157.6
[M-H]- 221.17851 156.3
[M+NH4]+ 240.21961 171.2
[M+K]+ 261.14895 150.1
[M+H-H2O]+ 205.18305 149.8
[M+HCOO]- 267.18399 174.3
[M+CH3COO]- 281.19964 187.8
[M+Na-2H]- 243.16046 160.8
[M]+ 222.18524 152.8
[M]- 222.18634 152.8
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.