CID 64525866

1342836-25-2

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C)OC(=O)C1=CC(=NN1)N
InChI
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)5-4-6(9)11-10-5/h4H,1-3H3,(H3,9,10,11)
InChIKey
ITFBGIMBWKOUMY-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 141.1
[M+Na]+ 206.08999 149.0
[M-H]- 182.09349 140.8
[M+NH4]+ 201.13459 159.2
[M+K]+ 222.06393 147.4
[M+H-H2O]+ 166.09803 134.7
[M+HCOO]- 228.09897 161.1
[M+CH3COO]- 242.11462 179.5
[M+Na-2H]- 204.07544 145.2
[M]+ 183.10022 139.9
[M]- 183.10132 139.9
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