CID 199984

5372-22-5

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=NN(C(=C1)OCCO)CC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-11-9-13(17-8-7-16)15(14-11)10-12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3
InChIKey
LCSOYHAUBXUTBQ-UHFFFAOYSA-N
Compound name
2-(2-benzyl-5-methylpyrazol-3-yl)oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.3
[M+Na]+ 255.11041 166.2
[M+NH4]+ 250.15501 160.7
[M+K]+ 271.08435 161.3
[M-H]- 231.11391 155.4
[M+Na-2H]- 253.09586 160.5
[M]+ 232.12064 155.6
[M]- 232.12174 155.6
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.