CID 51358380

Tert-butyl 3-amino-1h-pyrazole-1-carboxylate

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)11-5-4-6(9)10-11/h4-5H,1-3H3,(H2,9,10)
InChIKey
SLWKHFGJHAEQPD-UHFFFAOYSA-N
Compound name
tert-butyl 3-aminopyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

183.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 140.6
[M+Na]+ 206.089988 149.0
[M-H]- 182.093494 141.8
[M+NH4]+ 201.134593 159.6
[M+K]+ 222.063928 148.4
[M+H-H2O]+ 166.098030 134.1
[M+HCOO]- 228.098971 162.2
[M+CH3COO]- 242.114621 181.4
[M+Na-2H]- 204.075436 145.2
[M]+ 183.10022142 141.3
[M]- 183.10131858 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