CID 132388300

Rac-tert-butyl n-[(3r,4s)-4-(4-amino-1h-pyrazol-1-yl)oxolan-3-yl]carbamate

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N2C=C(C=N2)N
InChI
InChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)15-9-6-18-7-10(9)16-5-8(13)4-14-16/h4-5,9-10H,6-7,13H2,1-3H3,(H,15,17)/t9-,10+/m1/s1
InChIKey
NAZRJMZPWGYKGP-ZJUUUORDSA-N
Compound name
tert-butyl N-[(3S,4R)-4-(4-aminopyrazol-1-yl)oxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15353 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16081 161.2
[M+Na]+ 291.14275 167.3
[M+NH4]+ 286.18735 166.1
[M+K]+ 307.11669 169.3
[M-H]- 267.14625 162.5
[M+Na-2H]- 289.12820 163.3
[M]+ 268.15298 161.9
[M]- 268.15408 161.9
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

No patent data available for this compound.