CID 3008677

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

Structural Information

Molecular Formula
C12H25N5O
SMILES
CCCCCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C12H25N5O/c1-4-5-6-7-8-9-18-17-11(14)15-10(13)16-12(17,2)3/h4-9H2,1-3H3,(H4,13,14,15,16)
InChIKey
JKRNGUIEZVKTLV-UHFFFAOYSA-N
Compound name
1-heptoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.20592 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.21320 162.5
[M+Na]+ 278.19514 169.7
[M-H]- 254.19864 161.1
[M+NH4]+ 273.23974 177.1
[M+K]+ 294.16908 166.9
[M+H-H2O]+ 238.20318 154.4
[M+HCOO]- 300.20412 181.7
[M+CH3COO]- 314.21977 202.7
[M+Na-2H]- 276.18059 166.0
[M]+ 255.20537 163.1
[M]- 255.20647 163.1
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.