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]+ 294.23018 171.1
[M+Na]+ 316.21212 175.7
[M-H]- 292.21562 175.9
[M+NH4]+ 311.25672 187.1
[M+K]+ 332.18606 168.9
[M+H-H2O]+ 276.22016 166.9
[M+HCOO]- 338.22110 193.2
[M+CH3COO]- 352.23675 207.6
[M+Na-2H]- 314.19757 175.7
[M]+ 293.22235 173.6
[M]- 293.22345 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.