CID 155819429

2322858-96-6

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC1CCN(C=C1C=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO3/c1-9-5-6-13(7-10(9)8-14)11(15)16-12(2,3)4/h7-9H,5-6H2,1-4H3
InChIKey
LJWODXAAZXYQPT-UHFFFAOYSA-N
Compound name
tert-butyl 5-formyl-4-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 152.2
[M+Na]+ 248.12571 162.3
[M+NH4]+ 243.17031 158.4
[M+K]+ 264.09965 158.0
[M-H]- 224.12921 151.5
[M+Na-2H]- 246.11116 155.5
[M]+ 225.13594 153.2
[M]- 225.13704 153.2
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.