CID 22729

6-propoxy-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C6H11N5O
SMILES
CCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C6H11N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H4,7,8,9,10,11)
InChIKey
KVMMIYOZBPTUQR-UHFFFAOYSA-N
Compound name
6-propoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

169.09636 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.103636 136.0
[M+Na]+ 192.085578 145.0
[M-H]- 168.089084 135.3
[M+NH4]+ 187.130183 151.8
[M+K]+ 208.059518 142.8
[M+H-H2O]+ 152.093620 127.8
[M+HCOO]- 214.094561 158.6
[M+CH3COO]- 228.110211 183.5
[M+Na-2H]- 190.071026 143.1
[M]+ 169.09581142 135.1
[M]- 169.09690858 135.1
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

patents stripe