CID 21888086

2,3,4,5,6,7-hexahydro-1h-2-benzazonine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCC2=CC=CC=C2CNCC1
InChI
InChI=1S/C12H17N/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h3-4,7-8,13H,1-2,5-6,9-10H2
InChIKey
BUIPZMAHWRXQCI-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7-hexahydro-1H-2-benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 179.5
[M+Na]+ 198.12532 181.4
[M+NH4]+ 193.16992 181.0
[M+K]+ 214.09926 179.5
[M-H]- 174.12882 180.0
[M+Na-2H]- 196.11077 179.7
[M]+ 175.13555 180.0
[M]- 175.13665 180.0
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

patents stripe