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]+ 181.097146 135.9
[M+Na]+ 203.079088 145.9
[M-H]- 179.082594 138.7
[M+NH4]+ 198.123693 157.2
[M+K]+ 219.053028 145.1
[M+H-H2O]+ 163.087130 129.8
[M+HCOO]- 225.088071 155.4
[M+CH3COO]- 239.103721 179.8
[M+Na-2H]- 201.064536 143.2
[M]+ 180.08932142 137.4
[M]- 180.09041858 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.