CID 11845252

{5h,6h,7h-pyrazolo[3,2-b][1,3]oxazin-2-yl}methanol

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1CN2C(=CC(=N2)CO)OC1
InChI
InChI=1S/C7H10N2O2/c10-5-6-4-7-9(8-6)2-1-3-11-7/h4,10H,1-3,5H2
InChIKey
VHJUJFCWUIQFGV-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

154.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.5
[M+Na]+ 177.06345 137.6
[M-H]- 153.06695 130.4
[M+NH4]+ 172.10805 148.7
[M+K]+ 193.03739 136.8
[M+H-H2O]+ 137.07149 122.9
[M+HCOO]- 199.07243 147.9
[M+CH3COO]- 213.08808 142.6
[M+Na-2H]- 175.04890 136.8
[M]+ 154.07368 128.4
[M]- 154.07478 128.4
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