CID 100629826

Tert-butyl n-[(5-oxo-2,5-dihydro-1h-pyrazol-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CC(C)(C)OC(=O)NCC1=CC(=O)NN1
InChI
InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)10-5-6-4-7(13)12-11-6/h4H,5H2,1-3H3,(H,10,14)(H2,11,12,13)
InChIKey
LAPIHXYKVODQMU-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11134 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 147.4
[M+Na]+ 236.10056 154.7
[M+NH4]+ 231.14516 151.7
[M+K]+ 252.07450 154.2
[M-H]- 212.10406 144.4
[M+Na-2H]- 234.08601 149.4
[M]+ 213.11079 146.9
[M]- 213.11189 146.9
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.