CID 57181

97197-13-2

Structural Information

Molecular Formula
C14H24NO
SMILES
CC1=C(C=C(C=C1)COC(C)[N+](C)(C)C)C
InChI
InChI=1S/C14H24NO/c1-11-7-8-14(9-12(11)2)10-16-13(3)15(4,5)6/h7-9,13H,10H2,1-6H3/q+1
InChIKey
TYGKCMDGLIFMAN-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethylphenyl)methoxy]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.18579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19307 151.4
[M+Na]+ 245.17501 165.7
[M+NH4]+ 240.21961 161.3
[M+K]+ 261.14895 159.7
[M-H]- 221.17851 156.2
[M+Na-2H]- 243.16046 159.2
[M]+ 222.18524 155.4
[M]- 222.18634 155.4
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

No patent data available for this compound.