CID 71758654

Tert-butyl 2-(1-methyl-1h-pyrazol-4-yl)acetate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)CC1=CN(N=C1)C
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)5-8-6-11-12(4)7-8/h6-7H,5H2,1-4H3
InChIKey
CHYJXIWXRRCCAG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 144.9
[M+Na]+ 219.11041 153.3
[M-H]- 195.11391 146.2
[M+NH4]+ 214.15501 163.9
[M+K]+ 235.08435 152.6
[M+H-H2O]+ 179.11845 138.4
[M+HCOO]- 241.11939 165.4
[M+CH3COO]- 255.13504 183.9
[M+Na-2H]- 217.09586 149.1
[M]+ 196.12064 148.2
[M]- 196.12174 148.2
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.