CID 3066547

Ethyl 4-(1h-pyrazol-1-yl)butanoate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CCOC(=O)CCCN1C=CC=N1
InChI
InChI=1S/C9H14N2O2/c1-2-13-9(12)5-3-7-11-8-4-6-10-11/h4,6,8H,2-3,5,7H2,1H3
InChIKey
FGGKUMKJPXBPNS-UHFFFAOYSA-N
Compound name
ethyl 4-pyrazol-1-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 141.1
[M+Na]+ 205.09475 151.3
[M+NH4]+ 200.13935 147.7
[M+K]+ 221.06869 147.7
[M-H]- 181.09825 140.3
[M+Na-2H]- 203.08020 145.5
[M]+ 182.10498 142.0
[M]- 182.10608 142.0
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.