CID 89420

21038-21-1

Structural Information

Molecular Formula
C12H17N3
SMILES
CC(CC1=NCCNN1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N3/c1-10(11-5-3-2-4-6-11)9-12-13-7-8-14-15-12/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKey
CFUFCVJFJAVJPO-UHFFFAOYSA-N
Compound name
3-(2-phenylpropyl)-1,2,5,6-tetrahydro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 148.9
[M+Na]+ 226.13146 161.2
[M+NH4]+ 221.17606 156.3
[M+K]+ 242.10540 154.5
[M-H]- 202.13496 150.8
[M+Na-2H]- 224.11691 156.3
[M]+ 203.14169 151.0
[M]- 203.14279 151.0
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

No patent data available for this compound.