CID 105509269

1780618-05-4

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C(=CC=N2)C=O
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)14-6-10(7-14)15-9(8-16)4-5-13-15/h4-5,8,10H,6-7H2,1-3H3
InChIKey
JIMJZEJQVOFIDN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-formylpyrazol-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 158.3
[M+Na]+ 274.11622 163.3
[M+NH4]+ 269.16082 159.2
[M+K]+ 290.09016 163.6
[M-H]- 250.11972 154.2
[M+Na-2H]- 272.10167 159.1
[M]+ 251.12645 156.3
[M]- 251.12755 156.3
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.