CID 92682

57137-33-4

Structural Information

Molecular Formula
C9H15N3O4
SMILES
CC(C)(C)OOC1=NC(=NC(=N1)OC)OC
InChI
InChI=1S/C9H15N3O4/c1-9(2,3)16-15-8-11-6(13-4)10-7(12-8)14-5/h1-5H3
InChIKey
PCUXAOGRPUHYKH-UHFFFAOYSA-N
Compound name
2-tert-butylperoxy-4,6-dimethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.10626 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.113536 150.6
[M+Na]+ 252.095478 160.1
[M-H]- 228.098984 150.8
[M+NH4]+ 247.140083 165.2
[M+K]+ 268.069418 160.2
[M+H-H2O]+ 212.103520 142.7
[M+HCOO]- 274.104461 170.4
[M+CH3COO]- 288.120111 189.8
[M+Na-2H]- 250.080926 158.2
[M]+ 229.10571142 157.9
[M]- 229.10680858 157.9
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