CID 11321537

578008-32-9

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC1=CC(=NN1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H15N3O2/c1-6-5-7(10)11-12(6)8(13)14-9(2,3)4/h5H,1-4H3,(H2,10,11)
InChIKey
GJDCNROAKOCYIQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-5-methylpyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

197.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 144.9
[M+Na]+ 220.105638 153.8
[M-H]- 196.109144 146.3
[M+NH4]+ 215.150243 163.6
[M+K]+ 236.079578 152.9
[M+H-H2O]+ 180.113680 138.5
[M+HCOO]- 242.114621 166.1
[M+CH3COO]- 256.130271 185.6
[M+Na-2H]- 218.091086 148.3
[M]+ 197.11587142 146.3
[M]- 197.11696858 146.3
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