CID 62395394

Methyl 2-(1-methyl-1h-pyrazol-4-yl)propanoate

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC(C1=CN(N=C1)C)C(=O)OC
InChI
InChI=1S/C8H12N2O2/c1-6(8(11)12-3)7-4-9-10(2)5-7/h4-6H,1-3H3
InChIKey
GOVILENCRWCRAA-UHFFFAOYSA-N
Compound name
methyl 2-(1-methylpyrazol-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.3
[M+Na]+ 191.079088 143.8
[M-H]- 167.082594 136.6
[M+NH4]+ 186.123693 155.1
[M+K]+ 207.053028 143.6
[M+H-H2O]+ 151.087130 128.5
[M+HCOO]- 213.088071 157.0
[M+CH3COO]- 227.103721 179.1
[M+Na-2H]- 189.064536 138.5
[M]+ 168.08932142 137.8
[M]- 168.09041858 137.8
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