CID 11286491

623564-46-5

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC2=CC(=NN2C1)C=O
InChI
InChI=1S/C7H8N2O/c10-5-6-4-7-2-1-3-9(7)8-6/h4-5H,1-3H2
InChIKey
RTZLJDDSFCFBML-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.9
[M+Na]+ 159.05288 137.7
[M+NH4]+ 154.09748 135.6
[M+K]+ 175.02682 135.6
[M-H]- 135.05638 127.1
[M+Na-2H]- 157.03833 131.3
[M]+ 136.06311 128.2
[M]- 136.06421 128.2
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