CID 904187

39116-31-9

Structural Information

Molecular Formula
C10H7N3O
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CNN=C3
InChI
InChI=1S/C10H7N3O/c1-2-4-9-8(3-1)13-10(14-9)7-5-11-12-6-7/h1-6H,(H,11,12)
InChIKey
NSPKSLZVTSFHJT-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-4-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

185.05891 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 134.2
[M+Na]+ 208.048128 145.6
[M-H]- 184.051634 138.4
[M+NH4]+ 203.092733 152.6
[M+K]+ 224.022068 142.6
[M+H-H2O]+ 168.056170 126.6
[M+HCOO]- 230.057111 156.7
[M+CH3COO]- 244.072761 148.4
[M+Na-2H]- 206.033576 142.0
[M]+ 185.05836142 136.0
[M]- 185.05945858 136.0
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

patents stripe