CID 200650

P 46k

Structural Information

Molecular Formula
C19H30NO2
SMILES
C[N+](C)(C)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C19H30NO2/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1
InChIKey
RFWBVZUVAAVCSI-UHFFFAOYSA-N
Compound name
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.22766 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.23494 175.6
[M+Na]+ 327.21688 176.3
[M-H]- 303.22038 181.7
[M+NH4]+ 322.26148 190.0
[M+K]+ 343.19082 168.9
[M+H-H2O]+ 287.22492 170.2
[M+HCOO]- 349.22586 193.0
[M+CH3COO]- 363.24151 203.2
[M+Na-2H]- 325.20233 179.5
[M]+ 304.22711 171.8
[M]- 304.22821 171.8
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.