CID 186839

69844-52-6

Structural Information

Molecular Formula
C6H11N5
SMILES
CC(C)NC1=NC=NC(=N1)N
InChI
InChI=1S/C6H11N5/c1-4(2)10-6-9-3-8-5(7)11-6/h3-4H,1-2H3,(H3,7,8,9,10,11)
InChIKey
WBEKRMVYCWRRDJ-UHFFFAOYSA-N
Compound name
2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

153.10144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 133.0
[M+Na]+ 176.090658 140.9
[M-H]- 152.094164 132.6
[M+NH4]+ 171.135263 149.4
[M+K]+ 192.064598 139.1
[M+H-H2O]+ 136.098700 124.8
[M+HCOO]- 198.099641 155.1
[M+CH3COO]- 212.115291 181.6
[M+Na-2H]- 174.076106 140.8
[M]+ 153.10089142 130.7
[M]- 153.10198858 130.7
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

patents stripe