CID 3008676

1-butoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C9H19N5O
SMILES
CCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C9H19N5O/c1-4-5-6-15-14-8(11)12-7(10)13-9(14,2)3/h4-6H2,1-3H3,(H4,10,11,12,13)
InChIKey
PBGLMZVFWPGUSF-UHFFFAOYSA-N
Compound name
1-butoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15897 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.16625 149.7
[M+Na]+ 236.14819 158.2
[M-H]- 212.15169 148.9
[M+NH4]+ 231.19279 166.0
[M+K]+ 252.12213 156.1
[M+H-H2O]+ 196.15623 142.2
[M+HCOO]- 258.15717 169.9
[M+CH3COO]- 272.17282 193.7
[M+Na-2H]- 234.13364 154.7
[M]+ 213.15842 149.2
[M]- 213.15952 149.2
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.