CID 118703153

5-(2,2-dimethoxyethyl)-1h-pyrazole

Structural Information

Molecular Formula
C7H12N2O2
SMILES
COC(CC1=CC=NN1)OC
InChI
InChI=1S/C7H12N2O2/c1-10-7(11-2)5-6-3-4-8-9-6/h3-4,7H,5H2,1-2H3,(H,8,9)
InChIKey
ULNMEAJFRFWPRX-UHFFFAOYSA-N
Compound name
5-(2,2-dimethoxyethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 132.7
[M+Na]+ 179.07909 140.1
[M-H]- 155.08259 132.2
[M+NH4]+ 174.12369 152.0
[M+K]+ 195.05303 139.4
[M+H-H2O]+ 139.08713 125.7
[M+HCOO]- 201.08807 154.0
[M+CH3COO]- 215.10372 173.0
[M+Na-2H]- 177.06454 137.8
[M]+ 156.08932 133.9
[M]- 156.09042 133.9
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

No patent data available for this compound.