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]+ 151.086596 130.6
[M+Na]+ 173.068538 138.6
[M-H]- 149.072044 130.7
[M+NH4]+ 168.113143 151.2
[M+K]+ 189.042478 135.5
[M+H-H2O]+ 133.076580 123.9
[M+HCOO]- 195.077521 149.5
[M+CH3COO]- 209.093171 143.3
[M+Na-2H]- 171.053986 136.6
[M]+ 150.07877142 127.1
[M]- 150.07986858 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