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]+ 233.128466 152.0
[M+Na]+ 255.110408 160.3
[M-H]- 231.113914 155.0
[M+NH4]+ 250.155013 168.5
[M+K]+ 271.084348 156.7
[M+H-H2O]+ 215.118450 143.7
[M+HCOO]- 277.119391 173.8
[M+CH3COO]- 291.135041 188.0
[M+Na-2H]- 253.095856 156.1
[M]+ 232.12064142 154.3
[M]- 232.12173858 154.3
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.