CID 177798516

Pyrrolo[1,2-b]pyridazine-7-carbaldehyde

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC2=CC=C(N2N=C1)C=O
InChI
InChI=1S/C8H6N2O/c11-6-8-4-3-7-2-1-5-9-10(7)8/h1-6H
InChIKey
VVNNDHKDXIKNBT-UHFFFAOYSA-N
Compound name
pyrrolo[1,2-b]pyridazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 124.9
[M+Na]+ 169.037238 136.5
[M-H]- 145.040744 127.7
[M+NH4]+ 164.081843 146.8
[M+K]+ 185.011178 133.8
[M+H-H2O]+ 129.045280 118.2
[M+HCOO]- 191.046221 149.8
[M+CH3COO]- 205.061871 140.2
[M+Na-2H]- 167.022686 134.6
[M]+ 146.04747142 127.7
[M]- 146.04856858 127.7
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.