CID 8027609

Ethyl 5-cyclopropyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCOC(=O)C1=NNC(=C1)C2CC2
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
KGGGSOGFJKVURE-UHFFFAOYSA-N
Compound name
ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

180.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 142.4
[M+Na]+ 203.079088 152.2
[M-H]- 179.082594 146.2
[M+NH4]+ 198.123693 156.1
[M+K]+ 219.053028 148.4
[M+H-H2O]+ 163.087130 135.0
[M+HCOO]- 225.088071 163.6
[M+CH3COO]- 239.103721 180.6
[M+Na-2H]- 201.064536 145.9
[M]+ 180.08932142 145.0
[M]- 180.09041858 145.0
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