CID 208473

T 2447

Structural Information

Molecular Formula
C17H29N2O2
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C17H28N2O2/c1-13(2)15-8-7-14(3)11-16(15)21-12-17(20)18-9-10-19(4,5)6/h7-8,11,13H,9-10,12H2,1-6H3/p+1
InChIKey
WUXIVCRKDCRFRG-UHFFFAOYSA-O
Compound name
trimethyl-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2229 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.230176 171.1
[M+Na]+ 316.212118 175.7
[M-H]- 292.215624 175.9
[M+NH4]+ 311.256723 187.1
[M+K]+ 332.186058 168.9
[M+H-H2O]+ 276.220160 166.9
[M+HCOO]- 338.221101 193.2
[M+CH3COO]- 352.236751 207.6
[M+Na-2H]- 314.197566 175.7
[M]+ 293.22235142 173.6
[M]- 293.22344858 173.6
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.