CID 82662510

1529558-99-3

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC(C)(C)OC(=O)NC1=NN(C(=C1)C=O)C
InChI
InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)11-8-5-7(6-14)13(4)12-8/h5-6H,1-4H3,(H,11,12,15)
InChIKey
BPOYRBJQERKMKK-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-formyl-1-methylpyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.11134 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 150.5
[M+Na]+ 248.100558 159.1
[M-H]- 224.104064 152.3
[M+NH4]+ 243.145163 168.2
[M+K]+ 264.074498 158.3
[M+H-H2O]+ 208.108600 143.9
[M+HCOO]- 270.109541 172.4
[M+CH3COO]- 284.125191 190.5
[M+Na-2H]- 246.086006 154.6
[M]+ 225.11079142 154.1
[M]- 225.11188858 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

patents stripe