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

25
Patents

173.05891 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 135.0
[M+Na]+ 196.04813 147.7
[M-H]- 172.05163 135.4
[M+NH4]+ 191.09273 152.9
[M+K]+ 212.02207 142.8
[M+H-H2O]+ 156.05617 121.4
[M+HCOO]- 218.05711 153.9
[M+CH3COO]- 232.07276 147.2
[M+Na-2H]- 194.03358 142.0
[M]+ 173.05836 131.6
[M]- 173.05946 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