CID 155820897

Methyl 5-[(1z)-3-aminoprop-1-en-1-yl]pyridine-3-carboxylate dihydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
COC(=O)C1=CN=CC(=C1)/C=C\CN
InChI
InChI=1S/C10H12N2O2/c1-14-10(13)9-5-8(3-2-4-11)6-12-7-9/h2-3,5-7H,4,11H2,1H3/b3-2-
InChIKey
LLYASORHLPCSTF-IHWYPQMZSA-N
Compound name
methyl 5-[(Z)-3-aminoprop-1-enyl]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.9
[M+Na]+ 215.07909 149.4
[M-H]- 191.08259 143.8
[M+NH4]+ 210.12369 159.7
[M+K]+ 231.05303 147.0
[M+H-H2O]+ 175.08713 134.9
[M+HCOO]- 237.08807 165.2
[M+CH3COO]- 251.10372 184.1
[M+Na-2H]- 213.06454 147.0
[M]+ 192.08932 142.0
[M]- 192.09042 142.0
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.