CID 145922

88687-51-8

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2CC3=CC=CC=C3C2NC1
InChI
InChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-2,4,6,10,12-13H,3,5,7-8H2
InChIKey
QTPUNVRAVWPZCP-UHFFFAOYSA-N
Compound name
2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.4
[M+Na]+ 196.10967 143.8
[M-H]- 172.11317 139.2
[M+NH4]+ 191.15427 159.4
[M+K]+ 212.08361 139.2
[M+H-H2O]+ 156.11771 131.0
[M+HCOO]- 218.11865 154.3
[M+CH3COO]- 232.13430 149.3
[M+Na-2H]- 194.09512 143.2
[M]+ 173.11990 131.3
[M]- 173.12100 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe