CID 155822006

2490375-69-2

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1(C=CCCN1)C(=O)OC
InChI
InChI=1S/C8H13NO2/c1-8(7(10)11-2)5-3-4-6-9-8/h3,5,9H,4,6H2,1-2H3
InChIKey
CWOJKTADEDRJMP-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2,3-dihydro-1H-pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.4
[M+Na]+ 178.08386 139.8
[M-H]- 154.08736 134.1
[M+NH4]+ 173.12846 154.2
[M+K]+ 194.05780 138.8
[M+H-H2O]+ 138.09190 128.1
[M+HCOO]- 200.09284 152.3
[M+CH3COO]- 214.10849 171.9
[M+Na-2H]- 176.06931 139.6
[M]+ 155.09409 130.5
[M]- 155.09519 130.5
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.