CID 137947

1-methyl-5-phenyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C10H10N2
SMILES
CN1C(=CC=N1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2/c1-12-10(7-8-11-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
NLHYNCJBWXKZGP-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
Patents

158.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 131.3
[M+Na]+ 181.07362 140.7
[M-H]- 157.07712 135.8
[M+NH4]+ 176.11822 151.4
[M+K]+ 197.04756 137.8
[M+H-H2O]+ 141.08166 123.5
[M+HCOO]- 203.08260 155.3
[M+CH3COO]- 217.09825 145.6
[M+Na-2H]- 179.05907 138.3
[M]+ 158.08385 131.2
[M]- 158.08495 131.2
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