CID 165791709

Tert-butyl n-(5-formyl-4-iodo-1-methyl-1h-pyrazol-3-yl)carbamate

Structural Information

Molecular Formula
C10H14IN3O3
SMILES
CC(C)(C)OC(=O)NC1=NN(C(=C1I)C=O)C
InChI
InChI=1S/C10H14IN3O3/c1-10(2,3)17-9(16)12-8-7(11)6(5-15)14(4)13-8/h5H,1-4H3,(H,12,13,16)
InChIKey
ARCBTOXWLLIZTE-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-formyl-4-iodo-1-methylpyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.008 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.01528 164.3
[M+Na]+ 373.99722 166.4
[M-H]- 350.00072 159.5
[M+NH4]+ 369.04182 176.6
[M+K]+ 389.97116 171.0
[M+H-H2O]+ 334.00526 154.2
[M+HCOO]- 396.00620 180.9
[M+CH3COO]- 410.02185 202.3
[M+Na-2H]- 371.98267 155.3
[M]+ 351.00745 165.5
[M]- 351.00855 165.5
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.