CID 67191677

1003011-02-6

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C)OC(=O)N1C(=CC=N1)N
InChI
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6(9)4-5-10-11/h4-5H,9H2,1-3H3
InChIKey
QYQBAJXCDXDNJU-UHFFFAOYSA-N
Compound name
tert-butyl 5-aminopyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

183.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.6
[M+Na]+ 206.08999 149.0
[M-H]- 182.09349 141.8
[M+NH4]+ 201.13459 159.6
[M+K]+ 222.06393 148.4
[M+H-H2O]+ 166.09803 134.1
[M+HCOO]- 228.09897 162.2
[M+CH3COO]- 242.11462 181.4
[M+Na-2H]- 204.07544 145.2
[M]+ 183.10022 141.3
[M]- 183.10132 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe