CID 12100054

5-methoxy-1-methyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C6H7N3O
SMILES
CN1C(=C(C=N1)C#N)OC
InChI
InChI=1S/C6H7N3O/c1-9-6(10-2)5(3-7)4-8-9/h4H,1-2H3
InChIKey
XHAQPZGQDWYUQG-UHFFFAOYSA-N
Compound name
5-methoxy-1-methylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 122.0
[M+Na]+ 160.04813 133.5
[M-H]- 136.05163 122.9
[M+NH4]+ 155.09273 140.9
[M+K]+ 176.02207 132.4
[M+H-H2O]+ 120.05617 108.4
[M+HCOO]- 182.05711 142.0
[M+CH3COO]- 196.07276 186.3
[M+Na-2H]- 158.03358 127.8
[M]+ 137.05836 119.1
[M]- 137.05946 119.1
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

No patent data available for this compound.