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

13
Patents

137.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 122.0
[M+Na]+ 160.048128 133.5
[M-H]- 136.051634 122.9
[M+NH4]+ 155.092733 140.9
[M+K]+ 176.022068 132.4
[M+H-H2O]+ 120.056170 108.4
[M+HCOO]- 182.057111 142.0
[M+CH3COO]- 196.072761 186.3
[M+Na-2H]- 158.033576 127.8
[M]+ 137.05836142 119.1
[M]- 137.05945858 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

patents stripe