CID 19596820

Dimmm

Structural Information

Molecular Formula
C7H14N6O2
SMILES
COCN(COC)C1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H14N6O2/c1-14-3-13(4-15-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H4,8,9,10,11,12)
InChIKey
ZZQSSGSSJLWADI-UHFFFAOYSA-N
Compound name
2-N,2-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

214.11783 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12511 146.0
[M+Na]+ 237.10705 153.6
[M-H]- 213.11055 146.7
[M+NH4]+ 232.15165 160.1
[M+K]+ 253.08099 153.2
[M+H-H2O]+ 197.11509 136.7
[M+HCOO]- 259.11603 170.1
[M+CH3COO]- 273.13168 197.3
[M+Na-2H]- 235.09250 152.4
[M]+ 214.11728 147.3
[M]- 214.11838 147.3
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