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

2
Patents

148.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 125.1
[M+Na]+ 171.052878 136.0
[M-H]- 147.056384 125.1
[M+NH4]+ 166.097483 142.8
[M+K]+ 187.026818 132.4
[M+H-H2O]+ 131.060920 111.8
[M+HCOO]- 193.061861 139.0
[M+CH3COO]- 207.077511 137.0
[M+Na-2H]- 169.038326 131.4
[M]+ 148.06311142 118.7
[M]- 148.06420858 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