CID 83863032

1545674-59-6

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CN1C2=C(COCC2)C(=N1)C=O
InChI
InChI=1S/C8H10N2O2/c1-10-8-2-3-12-5-6(8)7(4-11)9-10/h4H,2-3,5H2,1H3
InChIKey
GWVHHQILFXLMIK-UHFFFAOYSA-N
Compound name
1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.5
[M+Na]+ 189.06345 141.9
[M-H]- 165.06695 135.1
[M+NH4]+ 184.10805 152.2
[M+K]+ 205.03739 141.2
[M+H-H2O]+ 149.07149 125.9
[M+HCOO]- 211.07243 152.3
[M+CH3COO]- 225.08808 177.2
[M+Na-2H]- 187.04890 139.1
[M]+ 166.07368 133.3
[M]- 166.07478 133.3
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.