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

166
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 154.6
[M+Na]+ 246.12130 164.5
[M-H]- 222.12480 159.7
[M+NH4]+ 241.16590 167.3
[M+K]+ 262.09524 160.8
[M+H-H2O]+ 206.12934 147.7
[M+HCOO]- 268.13028 175.5
[M+CH3COO]- 282.14593 193.0
[M+Na-2H]- 244.10675 157.2
[M]+ 223.13153 157.9
[M]- 223.13263 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