CID 22729

6295-15-4

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

410
Patents

169.09636 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.10364 136.0
[M+Na]+ 192.08558 145.0
[M-H]- 168.08908 135.3
[M+NH4]+ 187.13018 151.8
[M+K]+ 208.05952 142.8
[M+H-H2O]+ 152.09362 127.8
[M+HCOO]- 214.09456 158.6
[M+CH3COO]- 228.11021 183.5
[M+Na-2H]- 190.07103 143.1
[M]+ 169.09581 135.1
[M]- 169.09691 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