CID 6455332

66510-53-0

Structural Information

Molecular Formula
C16H25N
SMILES
CC1=NC2=C(CCCCCCCCCC2)C=C1
InChI
InChI=1S/C16H25N/c1-14-12-13-15-10-8-6-4-2-3-5-7-9-11-16(15)17-14/h12-13H,2-11H2,1H3
InChIKey
UOKAAQYLBYQAJK-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 154.2
[M+Na]+ 254.187918 157.7
[M-H]- 230.191424 153.7
[M+NH4]+ 249.232523 168.8
[M+K]+ 270.161858 155.1
[M+H-H2O]+ 214.195960 149.7
[M+HCOO]- 276.196901 169.4
[M+CH3COO]- 290.212551 163.4
[M+Na-2H]- 252.173366 157.5
[M]+ 231.19815142 144.8
[M]- 231.19924858 144.8
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

No patent data available for this compound.