CID 137964170

2225144-17-0

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)N1CCCC(=C1)CO
InChI
InChI=1S/C8H13NO3/c1-12-8(11)9-4-2-3-7(5-9)6-10/h5,10H,2-4,6H2,1H3
InChIKey
ZMSKRZYFEYIGCB-UHFFFAOYSA-N
Compound name
methyl 5-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.3
[M+Na]+ 194.078758 142.7
[M-H]- 170.082264 136.9
[M+NH4]+ 189.123363 154.7
[M+K]+ 210.052698 142.0
[M+H-H2O]+ 154.086800 130.2
[M+HCOO]- 216.087741 155.4
[M+CH3COO]- 230.103391 174.9
[M+Na-2H]- 192.064206 140.7
[M]+ 171.08899142 134.9
[M]- 171.09008858 134.9
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.