CID 44145752

Einecs 280-629-7

Structural Information

Molecular Formula
C15H27N2O
SMILES
CCN(CC[N+](C)(C)CC(C)O)C1=CC=CC=C1
InChI
InChI=1S/C15H27N2O/c1-5-16(15-9-7-6-8-10-15)11-12-17(3,4)13-14(2)18/h6-10,14,18H,5,11-13H2,1-4H3/q+1
InChIKey
VFZFVRAFKDQIEZ-UHFFFAOYSA-N
Compound name
2-(N-ethylanilino)ethyl-(2-hydroxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

251.21234 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.21962 160.8
[M+Na]+ 274.20156 164.0
[M-H]- 250.20506 165.1
[M+NH4]+ 269.24616 177.9
[M+K]+ 290.17550 157.7
[M+H-H2O]+ 234.20960 156.6
[M+HCOO]- 296.21054 183.1
[M+CH3COO]- 310.22619 199.0
[M+Na-2H]- 272.18701 167.5
[M]+ 251.21179 161.2
[M]- 251.21289 161.2
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.