CID 3079532

4-(2-(diethylamino)ethoxy)-alpha-methylbenzeneethanamine dioxalate

Structural Information

Molecular Formula
C15H26N2O
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC(C)N
InChI
InChI=1S/C15H26N2O/c1-4-17(5-2)10-11-18-15-8-6-14(7-9-15)12-13(3)16/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKey
YWNKYDNXGXUSET-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.211786 164.0
[M+Na]+ 273.193728 167.9
[M-H]- 249.197234 167.6
[M+NH4]+ 268.238333 181.1
[M+K]+ 289.167668 166.5
[M+H-H2O]+ 233.201770 156.3
[M+HCOO]- 295.202711 187.7
[M+CH3COO]- 309.218361 206.1
[M+Na-2H]- 271.179176 165.6
[M]+ 250.20396142 166.0
[M]- 250.20505858 166.0
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.