CID 135495928

Terbutylazine-2-hydroxy

Structural Information

Molecular Formula
C9H17N5O
SMILES
CCNC1=NC(=O)NC(=N1)NC(C)(C)C
InChI
InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
InChIKey
OYTCZOJKXCTBHG-UHFFFAOYSA-N
Compound name
6-(tert-butylamino)-4-(ethylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

16
Patents

211.14331 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.150586 150.8
[M+Na]+ 234.132528 158.7
[M-H]- 210.136034 149.6
[M+NH4]+ 229.177133 164.8
[M+K]+ 250.106468 155.5
[M+H-H2O]+ 194.140570 143.0
[M+HCOO]- 256.141511 170.7
[M+CH3COO]- 270.157161 190.2
[M+Na-2H]- 232.117976 158.4
[M]+ 211.14276142 149.7
[M]- 211.14385858 149.7
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