CID 121582308

Tert-butyl 2-amino-2-(1-methyl-1h-pyrazol-5-yl)acetate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)C(C1=CC=NN1C)N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)8(11)7-5-6-12-13(7)4/h5-6,8H,11H2,1-4H3
InChIKey
OZLVHKOTGJTGKW-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-2-(2-methylpyrazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 149.4
[M+Na]+ 234.121298 156.6
[M-H]- 210.124804 150.4
[M+NH4]+ 229.165903 167.1
[M+K]+ 250.095238 156.0
[M+H-H2O]+ 194.129340 142.6
[M+HCOO]- 256.130281 169.3
[M+CH3COO]- 270.145931 189.0
[M+Na-2H]- 232.106746 151.8
[M]+ 211.13153142 150.3
[M]- 211.13262858 150.3
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.