CID 89628

22201-98-5

Structural Information

Molecular Formula
C11H15N3
SMILES
C1CN=C(NN1)CCC2=CC=CC=C2
InChI
InChI=1S/C11H15N3/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-14-11/h1-5,13H,6-9H2,(H,12,14)
InChIKey
INIBGFCGSJWQJE-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1266 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 144.6
[M+Na]+ 212.11582 157.5
[M+NH4]+ 207.16042 152.3
[M+K]+ 228.08976 150.1
[M-H]- 188.11932 146.7
[M+Na-2H]- 210.10127 152.6
[M]+ 189.12605 146.9
[M]- 189.12715 146.9
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.