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]+ 223.193066 150.8
[M+Na]+ 245.175008 157.7
[M-H]- 221.178514 156.3
[M+NH4]+ 240.219613 170.3
[M+K]+ 261.148948 151.2
[M+H-H2O]+ 205.183050 147.8
[M+HCOO]- 267.183991 173.5
[M+CH3COO]- 281.199641 192.8
[M+Na-2H]- 243.160456 157.8
[M]+ 222.18524142 153.1
[M]- 222.18633858 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.