CID 89022

21725-68-8

Structural Information

Molecular Formula
C10H16N6O
SMILES
CCNC1=NC(=NC(=N1)OC)NC(C)(C)C#N
InChI
InChI=1S/C10H16N6O/c1-5-12-7-13-8(15-9(14-7)17-4)16-10(2,3)6-11/h5H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
SHANRXMTBMPTMY-UHFFFAOYSA-N
Compound name
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.13857 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.145846 153.4
[M+Na]+ 259.127788 161.1
[M-H]- 235.131294 152.1
[M+NH4]+ 254.172393 164.8
[M+K]+ 275.101728 160.2
[M+H-H2O]+ 219.135830 137.8
[M+HCOO]- 281.136771 170.2
[M+CH3COO]- 295.152421 208.9
[M+Na-2H]- 257.113236 160.1
[M]+ 236.13802142 149.3
[M]- 236.13911858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe