CID 3008680

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

Structural Information

Molecular Formula
C15H31N5O
SMILES
CCCCCCCCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C15H31N5O/c1-4-5-6-7-8-9-10-11-12-21-20-14(17)18-13(16)19-15(20,2)3/h4-12H2,1-3H3,(H4,16,17,18,19)
InChIKey
JFYUIKOAFDIQAH-UHFFFAOYSA-N
Compound name
1-decoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.25287 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.26015 175.1
[M+Na]+ 320.24209 181.0
[M-H]- 296.24559 173.2
[M+NH4]+ 315.28669 188.0
[M+K]+ 336.21603 177.5
[M+H-H2O]+ 280.25013 166.4
[M+HCOO]- 342.25107 193.3
[M+CH3COO]- 356.26672 211.6
[M+Na-2H]- 318.22754 177.2
[M]+ 297.25232 176.8
[M]- 297.25342 176.8
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.