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 140.4
[M+Na]+ 205.09475 147.7
[M-H]- 181.09825 140.9
[M+NH4]+ 200.13935 159.3
[M+K]+ 221.06869 146.8
[M+H-H2O]+ 165.10279 132.8
[M+HCOO]- 227.10373 162.7
[M+CH3COO]- 241.11938 180.1
[M+Na-2H]- 203.08020 144.9
[M]+ 182.10498 143.4
[M]- 182.10608 143.4
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.