CID 99802393

1803600-41-0

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=C(CNCC1)C2=CC=CO2
InChI
InChI=1S/C10H13NO/c1-8-4-5-11-7-9(8)10-3-2-6-12-10/h2-3,6,11H,4-5,7H2,1H3
InChIKey
IFOJHFGHSRFDPD-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-4-methyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 134.2
[M+Na]+ 186.088938 141.0
[M-H]- 162.092444 138.6
[M+NH4]+ 181.133543 153.2
[M+K]+ 202.062878 139.2
[M+H-H2O]+ 146.096980 127.6
[M+HCOO]- 208.097921 154.3
[M+CH3COO]- 222.113571 147.3
[M+Na-2H]- 184.074386 139.5
[M]+ 163.09917142 130.8
[M]- 163.10026858 130.8
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.