CID 208491

T 2435

Structural Information

Molecular Formula
C18H30NO3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)OC(C)C[N+](C)(C)C
InChI
InChI=1S/C18H30NO3/c1-13(2)16-9-8-14(3)10-17(16)21-12-18(20)22-15(4)11-19(5,6)7/h8-10,13,15H,11-12H2,1-7H3/q+1
InChIKey
GMIYADKJDSRYSR-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22256 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22984 174.4
[M+Na]+ 331.21178 179.2
[M-H]- 307.21528 179.2
[M+NH4]+ 326.25638 190.1
[M+K]+ 347.18572 173.2
[M+H-H2O]+ 291.21982 170.6
[M+HCOO]- 353.22076 194.4
[M+CH3COO]- 367.23641 208.5
[M+Na-2H]- 329.19723 177.1
[M]+ 308.22201 178.9
[M]- 308.22311 178.9
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.