CID 54775401

1353500-00-1

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C(=N2)N)C#N
InChI
InChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)17-5-4-10(8-17)18-7-9(6-14)11(15)16-18/h7,10H,4-5,8H2,1-3H3,(H2,15,16)
InChIKey
BBKHBWKCODLWNN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15387 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 165.2
[M+Na]+ 300.14309 173.1
[M-H]- 276.14659 166.5
[M+NH4]+ 295.18769 178.3
[M+K]+ 316.11703 170.8
[M+H-H2O]+ 260.15113 149.7
[M+HCOO]- 322.15207 179.4
[M+CH3COO]- 336.16772 209.9
[M+Na-2H]- 298.12854 163.9
[M]+ 277.15332 158.8
[M]- 277.15442 158.8
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

No patent data available for this compound.