CID 11356513

437982-59-7

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

142
Patents

223.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 154.6
[M+Na]+ 246.121298 164.5
[M-H]- 222.124804 159.7
[M+NH4]+ 241.165903 167.3
[M+K]+ 262.095238 160.8
[M+H-H2O]+ 206.129340 147.7
[M+HCOO]- 268.130281 175.5
[M+CH3COO]- 282.145931 193.0
[M+Na-2H]- 244.106746 157.2
[M]+ 223.13153142 157.9
[M]- 223.13262858 157.9
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