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]+ 153.06586 127.7
[M+Na]+ 175.04780 136.6
[M-H]- 151.05130 130.0
[M+NH4]+ 170.09240 147.7
[M+K]+ 191.02174 136.2
[M+H-H2O]+ 135.05584 121.0
[M+HCOO]- 197.05678 147.8
[M+CH3COO]- 211.07243 173.0
[M+Na-2H]- 173.03325 135.5
[M]+ 152.05803 127.8
[M]- 152.05913 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