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

13
Patents

183.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 141.1
[M+Na]+ 206.089988 149.0
[M-H]- 182.093494 140.8
[M+NH4]+ 201.134593 159.2
[M+K]+ 222.063928 147.4
[M+H-H2O]+ 166.098030 134.7
[M+HCOO]- 228.098971 161.1
[M+CH3COO]- 242.114621 179.5
[M+Na-2H]- 204.075436 145.2
[M]+ 183.10022142 139.9
[M]- 183.10131858 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