CID 39490

49540-52-5

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CCC2=C(C1)C3=C(O2)C=CN=C3
InChI
InChI=1S/C11H11NO/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h5-7H,1-4H2
InChIKey
DPWQIYOYJJGPFM-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 132.1
[M+Na]+ 196.07328 141.6
[M-H]- 172.07678 137.0
[M+NH4]+ 191.11788 153.8
[M+K]+ 212.04722 139.3
[M+H-H2O]+ 156.08132 125.8
[M+HCOO]- 218.08226 153.2
[M+CH3COO]- 232.09791 146.4
[M+Na-2H]- 194.05873 141.7
[M]+ 173.08351 132.6
[M]- 173.08461 132.6
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.