CID 5319970

56912-83-5

Structural Information

Molecular Formula
C16H25N
SMILES
CC1CCCCCCCCC2=NC(=CC=C2)C1
InChI
InChI=1S/C16H25N/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h8,11-12,14H,2-7,9-10,13H2,1H3
InChIKey
IMNKABOILQOFDL-UHFFFAOYSA-N
Compound name
3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

231.1987 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 154.7
[M+Na]+ 254.187918 158.3
[M-H]- 230.191424 153.2
[M+NH4]+ 249.232523 169.9
[M+K]+ 270.161858 155.7
[M+H-H2O]+ 214.195960 150.6
[M+HCOO]- 276.196901 169.2
[M+CH3COO]- 290.212551 163.8
[M+Na-2H]- 252.173366 158.8
[M]+ 231.19815142 146.0
[M]- 231.19924858 146.0
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