CID 316286

5-ethoxy-3-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCOC1=NNC(=C1)C
InChI
InChI=1S/C6H10N2O/c1-3-9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
HXEKEMXHIRHCED-UHFFFAOYSA-N
Compound name
3-ethoxy-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

118
Patents

126.079315 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 124.5
[M+Na]+ 149.068533 133.6
[M-H]- 125.072039 124.4
[M+NH4]+ 144.113138 145.4
[M+K]+ 165.042473 132.2
[M+H-H2O]+ 109.076575 118.1
[M+HCOO]- 171.077516 146.9
[M+CH3COO]- 185.093166 168.2
[M+Na-2H]- 147.053981 130.6
[M]+ 126.07876642 124.9
[M]- 126.07986358 124.9
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