CID 41272

4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridine hydrochloride

Structural Information

Molecular Formula
C12H13NO
SMILES
CC1CCCC2=C1OC3=C2C=NC=C3
InChI
InChI=1S/C12H13NO/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9/h5-8H,2-4H2,1H3
InChIKey
LGTRXBJWEYSVRM-UHFFFAOYSA-N
Compound name
6-methyl-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

187.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 137.3
[M+Na]+ 210.088938 147.2
[M-H]- 186.092444 142.3
[M+NH4]+ 205.133543 158.7
[M+K]+ 226.062878 144.7
[M+H-H2O]+ 170.096980 131.0
[M+HCOO]- 232.097921 158.0
[M+CH3COO]- 246.113571 151.5
[M+Na-2H]- 208.074386 145.6
[M]+ 187.09917142 138.4
[M]- 187.10026858 138.4
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.