CID 21684

5509-29-5

Structural Information

Molecular Formula
C15H22N3O
SMILES
CC1=NN(C(=C1)OCC[N+](C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H22N3O/c1-13-12-15(19-11-10-18(2,3)4)17(16-13)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/q+1
InChIKey
RQFNOXRVQQIZAM-UHFFFAOYSA-N
Compound name
trimethyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1763 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18358 160.8
[M+Na]+ 283.16552 168.5
[M-H]- 259.16902 166.8
[M+NH4]+ 278.21012 177.4
[M+K]+ 299.13946 160.3
[M+H-H2O]+ 243.17356 154.9
[M+HCOO]- 305.17450 183.7
[M+CH3COO]- 319.19015 195.8
[M+Na-2H]- 281.15097 168.8
[M]+ 260.17575 163.1
[M]- 260.17685 163.1
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.