CID 59509329

2-(1h-indazol-6-yl)acetonitrile

Structural Information

Molecular Formula

C₉H₇N₃

SMILES

C1=CC2=C(C=C1CC#N)NN=C2

InChI

InChI=1S/C9H7N3/c10-4-3-7-1-2-8-6-11-12-9(8)5-7/h1-2,5-6H,3H2,(H,11,12)

InChIKey

LXRBXWXGPFHNAY-UHFFFAOYSA-N

Compound name

2-(1H-indazol-6-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 157.064 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	158.07128	135.0
[M+Na]+	180.05322	148.1
[M+NH4]+	175.09782	140.2
[M+K]+	196.02716	139.6
[M-H]-	156.05672	128.9
[M+Na-2H]-	178.03867	139.3
[M]+	157.06345	134.3
[M]-	157.06455	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe