CID 21859716

1-(2-methoxyethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H10N2O
SMILES
COCCN1C=CC=N1
InChI
InChI=1S/C6H10N2O/c1-9-6-5-8-4-2-3-7-8/h2-4H,5-6H2,1H3
InChIKey
QDGMFMHIAQBDMJ-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 123.9
[M+Na]+ 149.06853 132.5
[M-H]- 125.07204 124.8
[M+NH4]+ 144.11314 145.2
[M+K]+ 165.04247 132.1
[M+H-H2O]+ 109.07658 116.9
[M+HCOO]- 171.07752 147.8
[M+CH3COO]- 185.09317 169.9
[M+Na-2H]- 147.05398 131.3
[M]+ 126.07877 125.9
[M]- 126.07986 125.9
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