CID 21846075

186190-79-4

Structural Information

Molecular Formula
C8H14N4O
SMILES
CC(C)(C)N1C(=C(C=N1)C(=O)N)N
InChI
InChI=1S/C8H14N4O/c1-8(2,3)12-6(9)5(4-11-12)7(10)13/h4H,9H2,1-3H3,(H2,10,13)
InChIKey
NDFXVDCXWFVBHJ-UHFFFAOYSA-N
Compound name
5-amino-1-tert-butylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

182.11676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 141.4
[M+Na]+ 205.105978 149.7
[M-H]- 181.109484 142.3
[M+NH4]+ 200.150583 159.9
[M+K]+ 221.079918 148.1
[M+H-H2O]+ 165.114020 134.7
[M+HCOO]- 227.114961 163.0
[M+CH3COO]- 241.130611 186.3
[M+Na-2H]- 203.091426 144.5
[M]+ 182.11621142 139.3
[M]- 182.11730858 139.3
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

patents stripe