CID 572877

4-ethyl-3,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C7H12N2
SMILES
CCC1=C(NN=C1C)C
InChI
InChI=1S/C7H12N2/c1-4-7-5(2)8-9-6(7)3/h4H2,1-3H3,(H,8,9)
InChIKey
MGSZBMLUKBKFIH-UHFFFAOYSA-N
Compound name
4-ethyl-3,5-dimethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

124.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 126.1
[M+Na]+ 147.08927 138.2
[M+NH4]+ 142.13387 134.3
[M+K]+ 163.06321 134.0
[M-H]- 123.09277 126.5
[M+Na-2H]- 145.07472 131.5
[M]+ 124.09950 127.8
[M]- 124.10060 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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