CID 125511537

Tert-butyl n-(4-formyl-1-methyl-1h-pyrazol-3-yl)carbamate

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC(C)(C)OC(=O)NC1=NN(C=C1C=O)C
InChI
InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)11-8-7(6-14)5-13(4)12-8/h5-6H,1-4H3,(H,11,12,15)
InChIKey
QBIOALOZEATKPY-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-formyl-1-methylpyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 150.5
[M+Na]+ 248.10056 159.1
[M-H]- 224.10406 152.3
[M+NH4]+ 243.14516 168.2
[M+K]+ 264.07450 158.3
[M+H-H2O]+ 208.10860 143.9
[M+HCOO]- 270.10954 172.4
[M+CH3COO]- 284.12519 190.5
[M+Na-2H]- 246.08601 154.6
[M]+ 225.11079 154.1
[M]- 225.11189 154.1
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.