CID 3075535

184761-07-7

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCCOC1=C(C=C2CCCC2=N1)C(=O)N
InChI
InChI=1S/C12H16N2O2/c1-2-6-16-12-9(11(13)15)7-8-4-3-5-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15)
InChIKey
HSNJNXYPFUPBFO-UHFFFAOYSA-N
Compound name
2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.4
[M+Na]+ 243.11041 156.6
[M-H]- 219.11391 152.0
[M+NH4]+ 238.15501 168.9
[M+K]+ 259.08435 154.0
[M+H-H2O]+ 203.11845 142.6
[M+HCOO]- 265.11939 170.9
[M+CH3COO]- 279.13504 191.3
[M+Na-2H]- 241.09586 152.5
[M]+ 220.12064 149.5
[M]- 220.12174 149.5
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.