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

3
Patents

209.12766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13494 146.9
[M+Na]+ 232.11688 152.9
[M-H]- 208.12038 148.3
[M+NH4]+ 227.16148 160.3
[M+K]+ 248.09082 149.8
[M+H-H2O]+ 192.12492 137.3
[M+HCOO]- 254.12586 165.7
[M+CH3COO]- 268.14151 189.3
[M+Na-2H]- 230.10233 152.2
[M]+ 209.12711 140.4
[M]- 209.12821 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