CID 165664170

6,6-dimethyl-5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine-2-carbaldehyde

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1(CN2C(=CC(=N2)C=O)OC1)C
InChI
InChI=1S/C9H12N2O2/c1-9(2)5-11-8(13-6-9)3-7(4-12)10-11/h3-4H,5-6H2,1-2H3
InChIKey
NTJVINWUYBRNBP-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 135.9
[M+Na]+ 203.07909 145.9
[M-H]- 179.08259 138.7
[M+NH4]+ 198.12369 157.2
[M+K]+ 219.05303 145.1
[M+H-H2O]+ 163.08713 129.8
[M+HCOO]- 225.08807 155.4
[M+CH3COO]- 239.10372 179.8
[M+Na-2H]- 201.06454 143.2
[M]+ 180.08932 137.4
[M]- 180.09042 137.4
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

No patent data available for this compound.