CID 21014234

1-(2-methoxyethyl)-3,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC1=CC(=NN1CCOC)C
InChI
InChI=1S/C8H14N2O/c1-7-6-8(2)10(9-7)4-5-11-3/h6H,4-5H2,1-3H3
InChIKey
DZZHQBNWJSQQCE-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

154.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 132.4
[M+Na]+ 177.09983 142.0
[M-H]- 153.10333 133.7
[M+NH4]+ 172.14443 153.3
[M+K]+ 193.07377 141.0
[M+H-H2O]+ 137.10787 125.7
[M+HCOO]- 199.10881 155.6
[M+CH3COO]- 213.12446 178.1
[M+Na-2H]- 175.08528 137.3
[M]+ 154.11006 135.9
[M]- 154.11116 135.9
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