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]+ 223.193066 153.2
[M+Na]+ 245.175008 157.6
[M-H]- 221.178514 156.3
[M+NH4]+ 240.219613 171.2
[M+K]+ 261.148948 150.1
[M+H-H2O]+ 205.183050 149.8
[M+HCOO]- 267.183991 174.3
[M+CH3COO]- 281.199641 187.8
[M+Na-2H]- 243.160456 160.8
[M]+ 222.18524142 152.8
[M]- 222.18633858 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.