CID 599984

3-(4-methoxyphenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H10N2O
SMILES
COC1=CC=C(C=C1)C2=CC=NN2
InChI
InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChIKey
QUSABYOAMXPMQH-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

346
Patents

174.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.2
[M+Na]+ 197.06854 144.0
[M-H]- 173.07204 138.3
[M+NH4]+ 192.11314 153.8
[M+K]+ 213.04248 140.7
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 157.9
[M+CH3COO]- 233.09317 148.6
[M+Na-2H]- 195.05399 141.7
[M]+ 174.07877 134.6
[M]- 174.07987 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe