CID 116002

63979-36-2

Structural Information

Molecular Formula
C9H15N5O
SMILES
C1CCC(CC1)OC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C9H15N5O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h6H,1-5H2,(H4,10,11,12,13,14)
InChIKey
XDONWVQLBDAVEB-UHFFFAOYSA-N
Compound name
6-cyclohexyloxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.12766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.134936 146.9
[M+Na]+ 232.116878 152.9
[M-H]- 208.120384 148.3
[M+NH4]+ 227.161483 160.3
[M+K]+ 248.090818 149.8
[M+H-H2O]+ 192.124920 137.3
[M+HCOO]- 254.125861 165.7
[M+CH3COO]- 268.141511 189.3
[M+Na-2H]- 230.102326 152.2
[M]+ 209.12711142 140.4
[M]- 209.12820858 140.4
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