CID 50853230

950858-97-6

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC1=C(C=NN1C(C)(C)C)C(=O)OC
InChI
InChI=1S/C10H16N2O2/c1-7-8(9(13)14-5)6-11-12(7)10(2,3)4/h6H,1-5H3
InChIKey
BQOZXFDKIAJZTP-UHFFFAOYSA-N
Compound name
methyl 1-tert-butyl-5-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

196.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 144.1
[M+Na]+ 219.110408 153.4
[M-H]- 195.113914 145.8
[M+NH4]+ 214.155013 163.4
[M+K]+ 235.084348 152.7
[M+H-H2O]+ 179.118450 138.0
[M+HCOO]- 241.119391 164.6
[M+CH3COO]- 255.135041 185.1
[M+Na-2H]- 217.095856 147.7
[M]+ 196.12064142 147.8
[M]- 196.12173858 147.8
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