CID 3072036

3-pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C#CCOC(=O)C1=CCCNC1
InChI
InChI=1S/C9H11NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h1,4,10H,3,5-7H2
InChIKey
QJDUHWUOMFGRHO-UHFFFAOYSA-N
Compound name
prop-2-ynyl 1,2,3,6-tetrahydropyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 135.1
[M+Na]+ 188.068198 142.9
[M-H]- 164.071704 134.0
[M+NH4]+ 183.112803 151.2
[M+K]+ 204.042138 139.4
[M+H-H2O]+ 148.076240 122.8
[M+HCOO]- 210.077181 148.4
[M+CH3COO]- 224.092831 182.6
[M+Na-2H]- 186.053646 138.9
[M]+ 165.07843142 126.6
[M]- 165.07952858 126.6
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.