CID 132398644

2168236-42-6

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CCN1C(=C(C=N1)NC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C11H17N3O3/c1-5-14-9(7-15)8(6-12-14)13-10(16)17-11(2,3)4/h6-7H,5H2,1-4H3,(H,13,16)
InChIKey
DHSFZZRVPDBCKH-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-ethyl-5-formylpyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.134276 155.1
[M+Na]+ 262.116218 163.3
[M-H]- 238.119724 156.7
[M+NH4]+ 257.160823 172.2
[M+K]+ 278.090158 162.2
[M+H-H2O]+ 222.124260 148.3
[M+HCOO]- 284.125201 176.7
[M+CH3COO]- 298.140851 193.5
[M+Na-2H]- 260.101666 158.7
[M]+ 239.12645142 159.0
[M]- 239.12754858 159.0
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.