CID 213371

Triethylamine, 2-(3-phenylpropoxy)-

Structural Information

Molecular Formula
C15H25NO
SMILES
CCN(CC)CCOCCCC1=CC=CC=C1
InChI
InChI=1S/C15H25NO/c1-3-16(4-2)12-14-17-13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3
InChIKey
OIHGPWMQZAPBJX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(3-phenylpropoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.19362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 159.3
[M+Na]+ 258.18284 163.4
[M-H]- 234.18634 163.1
[M+NH4]+ 253.22744 177.4
[M+K]+ 274.15678 161.8
[M+H-H2O]+ 218.19088 151.7
[M+HCOO]- 280.19182 183.6
[M+CH3COO]- 294.20747 199.8
[M+Na-2H]- 256.16829 163.7
[M]+ 235.19307 163.4
[M]- 235.19417 163.4
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.