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

103
Patents

185.05891 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06619 134.2
[M+Na]+ 208.04813 145.6
[M-H]- 184.05163 138.4
[M+NH4]+ 203.09273 152.6
[M+K]+ 224.02207 142.6
[M+H-H2O]+ 168.05617 126.6
[M+HCOO]- 230.05711 156.7
[M+CH3COO]- 244.07276 148.4
[M+Na-2H]- 206.03358 142.0
[M]+ 185.05836 136.0
[M]- 185.05946 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