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]+ 188.10700 137.3
[M+Na]+ 210.08894 147.2
[M-H]- 186.09244 142.3
[M+NH4]+ 205.13354 158.7
[M+K]+ 226.06288 144.7
[M+H-H2O]+ 170.09698 131.0
[M+HCOO]- 232.09792 158.0
[M+CH3COO]- 246.11357 151.5
[M+Na-2H]- 208.07439 145.6
[M]+ 187.09917 138.4
[M]- 187.10027 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.