CID 18039

(2-(n-cyclohexylanilino)ethyl)trimethylammonium bromide

Structural Information

Molecular Formula
C17H29N2
SMILES
C[N+](C)(C)CCN(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H29N2/c1-19(2,3)15-14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3/q+1
InChIKey
ROHGZLIRLHQLDU-UHFFFAOYSA-N
Compound name
2-(N-cyclohexylanilino)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.23306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.24034 163.2
[M+Na]+ 284.22228 164.4
[M-H]- 260.22578 170.8
[M+NH4]+ 279.26688 179.9
[M+K]+ 300.19622 157.3
[M+H-H2O]+ 244.23032 157.6
[M+HCOO]- 306.23126 184.1
[M+CH3COO]- 320.24691 201.7
[M+Na-2H]- 282.20773 170.0
[M]+ 261.23251 158.5
[M]- 261.23361 158.5
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.