CID 64481

As-triazine, 5-(1-adamantyl)-3-methoxy-

Structural Information

Molecular Formula
C14H19N3O
SMILES
COC1=NC(=CN=N1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H19N3O/c1-18-13-16-12(8-15-17-13)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7H2,1H3
InChIKey
SAMMJDJYLVYPGT-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.15282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 155.2
[M+Na]+ 268.14204 158.7
[M-H]- 244.14554 149.8
[M+NH4]+ 263.18664 175.2
[M+K]+ 284.11598 155.1
[M+H-H2O]+ 228.15008 144.3
[M+HCOO]- 290.15102 159.9
[M+CH3COO]- 304.16667 162.8
[M+Na-2H]- 266.12749 167.0
[M]+ 245.15227 156.0
[M]- 245.15337 156.0
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