CID 32722

24860-40-0

Structural Information

Molecular Formula
C6H11N5O
SMILES
CC(C)OC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C6H11N5O/c1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKey
ATCQNYLEZRQALQ-UHFFFAOYSA-N
Compound name
6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

783
Patents

169.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.103636 136.7
[M+Na]+ 192.085578 145.4
[M-H]- 168.089084 136.1
[M+NH4]+ 187.130183 152.4
[M+K]+ 208.059518 143.8
[M+H-H2O]+ 152.093620 128.6
[M+HCOO]- 214.094561 158.3
[M+CH3COO]- 228.110211 184.4
[M+Na-2H]- 190.071026 142.5
[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