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 150.8
[M+Na]+ 245.17501 157.7
[M-H]- 221.17851 156.3
[M+NH4]+ 240.21961 170.3
[M+K]+ 261.14895 151.2
[M+H-H2O]+ 205.18305 147.8
[M+HCOO]- 267.18399 173.5
[M+CH3COO]- 281.19964 192.8
[M+Na-2H]- 243.16046 157.8
[M]+ 222.18524 153.1
[M]- 222.18634 153.1
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.