CID 44604163

4-methoxy-2-(1h-pyrazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H9N3O
SMILES
COC1=CC(=C(C=C1)C#N)N2C=CC=N2
InChI
InChI=1S/C11H9N3O/c1-15-10-4-3-9(8-12)11(7-10)14-6-2-5-13-14/h2-7H,1H3
InChIKey
QRRHHEJIOSTXJQ-UHFFFAOYSA-N
Compound name
4-methoxy-2-pyrazol-1-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.07455 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 141.1
[M+Na]+ 222.06377 152.4
[M-H]- 198.06727 144.0
[M+NH4]+ 217.10837 157.3
[M+K]+ 238.03771 148.1
[M+H-H2O]+ 182.07181 125.9
[M+HCOO]- 244.07275 160.8
[M+CH3COO]- 258.08840 153.0
[M+Na-2H]- 220.04922 146.2
[M]+ 199.07400 137.4
[M]- 199.07510 137.4
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

No patent data available for this compound.