CID 220909

6-cyclohex-2-en-1-yl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C9H13N5
SMILES
C1CC=CC(C1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C9H13N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H4,10,11,12,13,14)
InChIKey
YRTUTIAAXFGSAM-UHFFFAOYSA-N
Compound name
6-cyclohex-2-en-1-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

191.1171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 142.8
[M+Na]+ 214.10632 150.0
[M-H]- 190.10982 144.6
[M+NH4]+ 209.15092 157.1
[M+K]+ 230.08026 146.0
[M+H-H2O]+ 174.11436 133.5
[M+HCOO]- 236.11530 162.8
[M+CH3COO]- 250.13095 153.9
[M+Na-2H]- 212.09177 149.1
[M]+ 191.11655 136.3
[M]- 191.11765 136.3
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

No patent data available for this compound.