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]+ 193.097146 141.9
[M+Na]+ 215.079088 149.4
[M-H]- 191.082594 143.8
[M+NH4]+ 210.123693 159.7
[M+K]+ 231.053028 147.0
[M+H-H2O]+ 175.087130 134.9
[M+HCOO]- 237.088071 165.2
[M+CH3COO]- 251.103721 184.1
[M+Na-2H]- 213.064536 147.0
[M]+ 192.08932142 142.0
[M]- 192.09041858 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.