CID 82749

10594-03-3

Structural Information

Molecular Formula
C18H27N
SMILES
CCCCCC1=C2CCCCC2=C3CCCCC3=N1
InChI
InChI=1S/C18H27N/c1-2-3-4-12-17-15-10-6-5-9-14(15)16-11-7-8-13-18(16)19-17/h2-13H2,1H3
InChIKey
FNUATPIDZQSFPD-UHFFFAOYSA-N
Compound name
6-pentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

257.21436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 164.9
[M+Na]+ 280.20358 177.9
[M+NH4]+ 275.24818 175.3
[M+K]+ 296.17752 167.9
[M-H]- 256.20708 169.0
[M+Na-2H]- 278.18903 169.8
[M]+ 257.21381 168.0
[M]- 257.21491 168.0
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