CID 106059

Einecs 267-680-0

Structural Information

Molecular Formula
C14H25N2
SMILES
CCN(CC[N+](C)(C)C)C1=CC=CC(=C1)C
InChI
InChI=1S/C14H25N2/c1-6-15(10-11-16(3,4)5)14-9-7-8-13(2)12-14/h7-9,12H,6,10-11H2,1-5H3/q+1
InChIKey
WNQXTFFNELPKSJ-UHFFFAOYSA-N
Compound name
2-(N-ethyl-3-methylanilino)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

221.20177 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.20905 151.8
[M+Na]+ 244.19099 157.2
[M-H]- 220.19449 158.1
[M+NH4]+ 239.23559 171.3
[M+K]+ 260.16493 151.1
[M+H-H2O]+ 204.19903 147.9
[M+HCOO]- 266.19997 176.7
[M+CH3COO]- 280.21562 197.3
[M+Na-2H]- 242.17644 160.0
[M]+ 221.20122 153.4
[M]- 221.20232 153.4
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

patents stripe