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]+ 212.13936 149.4
[M+Na]+ 234.12130 156.6
[M-H]- 210.12480 150.4
[M+NH4]+ 229.16590 167.1
[M+K]+ 250.09524 156.0
[M+H-H2O]+ 194.12934 142.6
[M+HCOO]- 256.13028 169.3
[M+CH3COO]- 270.14593 189.0
[M+Na-2H]- 232.10675 151.8
[M]+ 211.13153 150.3
[M]- 211.13263 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.