CID 27274666

6-methoxy-1h-indazole-3-carbonitrile

Structural Information

Molecular Formula
C9H7N3O
SMILES
COC1=CC2=C(C=C1)C(=NN2)C#N
InChI
InChI=1S/C9H7N3O/c1-13-6-2-3-7-8(4-6)11-12-9(7)5-10/h2-4H,1H3,(H,11,12)
InChIKey
QAJXYNLOGLGDCG-UHFFFAOYSA-N
Compound name
6-methoxy-1H-indazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

173.05891 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 135.0
[M+Na]+ 196.048128 147.7
[M-H]- 172.051634 135.4
[M+NH4]+ 191.092733 152.9
[M+K]+ 212.022068 142.8
[M+H-H2O]+ 156.056170 121.4
[M+HCOO]- 218.057111 153.9
[M+CH3COO]- 232.072761 147.2
[M+Na-2H]- 194.033576 142.0
[M]+ 173.05836142 131.6
[M]- 173.05945858 131.6
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