CID 11356513

Tert-butyl 5-amino-3-cyclopropyl-1h-pyrazole-1-carboxylate

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1C(=CC(=N1)C2CC2)N
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9(12)6-8(13-14)7-4-5-7/h6-7H,4-5,12H2,1-3H3
InChIKey
LIRVTXMQFQGLQV-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

223.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 153.3
[M+Na]+ 246.12130 163.8
[M+NH4]+ 241.16590 160.0
[M+K]+ 262.09524 163.3
[M-H]- 222.12480 160.5
[M+Na-2H]- 244.10675 159.7
[M]+ 223.13153 157.6
[M]- 223.13263 157.6
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