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

13
Patents

182.11676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 141.4
[M+Na]+ 205.10598 149.7
[M-H]- 181.10948 142.3
[M+NH4]+ 200.15058 159.9
[M+K]+ 221.07992 148.1
[M+H-H2O]+ 165.11402 134.7
[M+HCOO]- 227.11496 163.0
[M+CH3COO]- 241.13061 186.3
[M+Na-2H]- 203.09143 144.5
[M]+ 182.11621 139.3
[M]- 182.11731 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