CID 91789

56280-59-2

Structural Information

Molecular Formula
C15H27N2O
SMILES
CCN(CC(C[N+](C)(C)C)O)C1=CC=CC(=C1)C
InChI
InChI=1S/C15H27N2O/c1-6-16(11-15(18)12-17(3,4)5)14-9-7-8-13(2)10-14/h7-10,15,18H,6,11-12H2,1-5H3/q+1
InChIKey
UMCQMUWJUVJNGD-UHFFFAOYSA-N
Compound name
[3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 160.1
[M+Na]+ 274.20156 164.3
[M-H]- 250.20506 164.8
[M+NH4]+ 269.24616 177.5
[M+K]+ 290.17550 158.0
[M+H-H2O]+ 234.20960 156.2
[M+HCOO]- 296.21054 182.4
[M+CH3COO]- 310.22619 200.1
[M+Na-2H]- 272.18701 166.2
[M]+ 251.21179 160.9
[M]- 251.21289 160.9
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

patents stripe