CID 131105980

3,5-dimethyl-4-(1h-pyrazol-4-yl)-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=C(C(=NO1)C)C2=CNN=C2
InChI
InChI=1S/C8H9N3O/c1-5-8(6(2)12-11-5)7-3-9-10-4-7/h3-4H,1-2H3,(H,9,10)
InChIKey
GRFFBNUIKDVMRE-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-(1H-pyrazol-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 130.5
[M+Na]+ 186.06377 142.1
[M-H]- 162.06727 134.0
[M+NH4]+ 181.10837 149.1
[M+K]+ 202.03771 140.3
[M+H-H2O]+ 146.07181 123.2
[M+HCOO]- 208.07275 153.7
[M+CH3COO]- 222.08840 145.1
[M+Na-2H]- 184.04922 136.0
[M]+ 163.07400 133.0
[M]- 163.07510 133.0
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.