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]+ 240.13428 155.1
[M+Na]+ 262.11622 163.3
[M-H]- 238.11972 156.7
[M+NH4]+ 257.16082 172.2
[M+K]+ 278.09016 162.2
[M+H-H2O]+ 222.12426 148.3
[M+HCOO]- 284.12520 176.7
[M+CH3COO]- 298.14085 193.5
[M+Na-2H]- 260.10167 158.7
[M]+ 239.12645 159.0
[M]- 239.12755 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.