CID 84649596

1706433-45-5

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CN2C(=C(C=N2)C=O)OC1
InChI
InChI=1S/C7H8N2O2/c10-5-6-4-8-9-2-1-3-11-7(6)9/h4-5H,1-3H2
InChIKey
UCVIPYQHTWRTBR-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

152.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 127.7
[M+Na]+ 175.047798 136.6
[M-H]- 151.051304 130.0
[M+NH4]+ 170.092403 147.7
[M+K]+ 191.021738 136.2
[M+H-H2O]+ 135.055840 121.0
[M+HCOO]- 197.056781 147.8
[M+CH3COO]- 211.072431 173.0
[M+Na-2H]- 173.033246 135.5
[M]+ 152.05803142 127.8
[M]- 152.05912858 127.8
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