CID 135612794

66753-06-8

Structural Information

Molecular Formula
C7H13N5O
SMILES
CC(C)(C)NC1=NC(=O)NC(=N1)N
InChI
InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)
InChIKey
NUISVCFZNCYUIM-UHFFFAOYSA-N
Compound name
6-amino-4-(tert-butylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

437
Patents

183.11201 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11929 142.3
[M+Na]+ 206.10123 151.2
[M-H]- 182.10473 141.0
[M+NH4]+ 201.14583 157.2
[M+K]+ 222.07517 148.1
[M+H-H2O]+ 166.10927 135.0
[M+HCOO]- 228.11021 162.2
[M+CH3COO]- 242.12586 183.6
[M+Na-2H]- 204.08668 149.9
[M]+ 183.11146 139.5
[M]- 183.11256 139.5
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