CID 186157

Ammiline

Structural Information

Molecular Formula
C8H15N5O
SMILES
CCC(C)NC1=NC(=NC(=N1)N)OC
InChI
InChI=1S/C8H15N5O/c1-4-5(2)10-7-11-6(9)12-8(13-7)14-3/h5H,4H2,1-3H3,(H3,9,10,11,12,13)
InChIKey
FUNDQXLDYFURSA-UHFFFAOYSA-N
Compound name
2-N-butan-2-yl-6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.12766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.134936 145.2
[M+Na]+ 220.116878 153.1
[M-H]- 196.120384 144.9
[M+NH4]+ 215.161483 160.1
[M+K]+ 236.090818 151.3
[M+H-H2O]+ 180.124920 136.7
[M+HCOO]- 242.125861 166.9
[M+CH3COO]- 256.141511 191.0
[M+Na-2H]- 218.102326 151.1
[M]+ 197.12711142 145.4
[M]- 197.12820858 145.4
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