CID 23836

7368-12-9

Structural Information

Molecular Formula
C16H24N3O
SMILES
CC1=NN(C(=C1)OCC[N+](C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N3O/c1-14-12-16(20-11-10-19(2,3)4)18(17-14)13-15-8-6-5-7-9-15/h5-9,12H,10-11,13H2,1-4H3/q+1
InChIKey
UTIKTNSTSJUSRJ-UHFFFAOYSA-N
Compound name
2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.19193 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19921 165.6
[M+Na]+ 297.18115 172.7
[M-H]- 273.18465 171.3
[M+NH4]+ 292.22575 181.5
[M+K]+ 313.15509 164.3
[M+H-H2O]+ 257.18919 159.4
[M+HCOO]- 319.19013 188.1
[M+CH3COO]- 333.20578 198.8
[M+Na-2H]- 295.16660 173.0
[M]+ 274.19138 168.2
[M]- 274.19248 168.2
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.