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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.160806	162.3
[M+Na]+	291.142748	167.7
[M-H]-	267.146254	166.9
[M+NH4]+	286.187353	177.5
[M+K]+	307.116688	167.7
[M+H-H2O]+	251.150790	154.8
[M+HCOO]-	313.151731	182.1
[M+CH3COO]-	327.167381	198.7
[M+Na-2H]-	289.128196	163.8
[M]+	268.15298142	161.5
[M]-	268.15407858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.