CID 155819315

2117707-87-4

Structural Information

Molecular Formula
C8H8N2O
SMILES
C#CC1=C2N(CCCO2)N=C1
InChI
InChI=1S/C8H8N2O/c1-2-7-6-9-10-4-3-5-11-8(7)10/h1,6H,3-5H2
InChIKey
WXODOMOFQIWTPY-UHFFFAOYSA-N
Compound name
3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

148.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 125.1
[M+Na]+ 171.05288 136.0
[M-H]- 147.05638 125.1
[M+NH4]+ 166.09748 142.8
[M+K]+ 187.02682 132.4
[M+H-H2O]+ 131.06092 111.8
[M+HCOO]- 193.06186 139.0
[M+CH3COO]- 207.07751 137.0
[M+Na-2H]- 169.03833 131.4
[M]+ 148.06311 118.7
[M]- 148.06421 118.7
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