CID 81616

6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridine

Structural Information

Molecular Formula
C10H13N
SMILES
C1CCC2=C(CC1)N=CC=C2
InChI
InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2
InChIKey
CULUYAUTCSKQNM-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
Patents

147.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 128.6
[M+Na]+ 170.09402 140.0
[M+NH4]+ 165.13862 138.0
[M+K]+ 186.06796 134.1
[M-H]- 146.09752 131.5
[M+Na-2H]- 168.07947 136.2
[M]+ 147.10425 131.1
[M]- 147.10535 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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