CID 136836

1,4-dimethylpyrazole

Structural Information

Molecular Formula
C5H8N2
SMILES
CC1=CN(N=C1)C
InChI
InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3
InChIKey
SZQCPPRPWDXLMM-UHFFFAOYSA-N
Compound name
1,4-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1639
Patents

96.06875 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 116.8
[M+Na]+ 119.05797 129.5
[M+NH4]+ 114.10257 125.7
[M+K]+ 135.03191 125.3
[M-H]- 95.061474 117.7
[M+Na-2H]- 117.04342 123.6
[M]+ 96.068201 118.8
[M]- 96.069299 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe