CID 28808664

4,5,6,7-tetrahydro-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CCC2=C(C1)C(=NN2)C=O
InChI
InChI=1S/C8H10N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h5H,1-4H2,(H,9,10)
InChIKey
BPKNULLUAAKXPC-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

150.07932 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.6
[M+Na]+ 173.06854 138.6
[M-H]- 149.07204 130.7
[M+NH4]+ 168.11314 151.2
[M+K]+ 189.04248 135.5
[M+H-H2O]+ 133.07658 123.9
[M+HCOO]- 195.07752 149.5
[M+CH3COO]- 209.09317 143.3
[M+Na-2H]- 171.05399 136.6
[M]+ 150.07877 127.1
[M]- 150.07987 127.1
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