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]+ 164.081826 130.5
[M+Na]+ 186.063768 142.1
[M-H]- 162.067274 134.0
[M+NH4]+ 181.108373 149.1
[M+K]+ 202.037708 140.3
[M+H-H2O]+ 146.071810 123.2
[M+HCOO]- 208.072751 153.7
[M+CH3COO]- 222.088401 145.1
[M+Na-2H]- 184.049216 136.0
[M]+ 163.07400142 133.0
[M]- 163.07509858 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.