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]+ 172.09682 136.3
[M+Na]+ 194.07876 142.7
[M-H]- 170.08226 136.9
[M+NH4]+ 189.12336 154.7
[M+K]+ 210.05270 142.0
[M+H-H2O]+ 154.08680 130.2
[M+HCOO]- 216.08774 155.4
[M+CH3COO]- 230.10339 174.9
[M+Na-2H]- 192.06421 140.7
[M]+ 171.08899 134.9
[M]- 171.09009 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.