CID 21498

5397-04-6

Structural Information

Molecular Formula
C6H11N5
SMILES
CC(C)C1=NC(=NC(=N1)N)N
InChI
InChI=1S/C6H11N5/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKey
OOEGQLPPMITCBZ-UHFFFAOYSA-N
Compound name
6-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

445
Patents

153.10144 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 134.0
[M+Na]+ 176.090658 142.9
[M-H]- 152.094164 133.5
[M+NH4]+ 171.135263 150.5
[M+K]+ 192.064598 140.8
[M+H-H2O]+ 136.098700 126.2
[M+HCOO]- 198.099641 155.5
[M+CH3COO]- 212.115291 182.2
[M+Na-2H]- 174.076106 139.9
[M]+ 153.10089142 131.1
[M]- 153.10198858 131.1
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