CID 46941562

1-(1-ethoxyethyl)-1h-pyrazole

Structural Information

Molecular Formula
C7H12N2O
SMILES
CCOC(C)N1C=CC=N1
InChI
InChI=1S/C7H12N2O/c1-3-10-7(2)9-6-4-5-8-9/h4-7H,3H2,1-2H3
InChIKey
ARLWQCUNWFXONO-UHFFFAOYSA-N
Compound name
1-(1-ethoxyethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

140.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.1
[M+Na]+ 163.08418 137.0
[M-H]- 139.08768 130.0
[M+NH4]+ 158.12878 149.8
[M+K]+ 179.05812 136.8
[M+H-H2O]+ 123.09222 122.0
[M+HCOO]- 185.09316 151.7
[M+CH3COO]- 199.10881 173.7
[M+Na-2H]- 161.06963 134.7
[M]+ 140.09441 130.8
[M]- 140.09551 130.8
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