CID 12612564

Diallyl propyl isocyanurate (stabilized with bht)

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C12H17N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-5H,1-2,6-9H2,3H3
InChIKey
ZIJDEADTCQKATN-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

251.127 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.134276 153.1
[M+Na]+ 274.116218 165.2
[M-H]- 250.119724 153.6
[M+NH4]+ 269.160823 167.3
[M+K]+ 290.090158 160.5
[M+H-H2O]+ 234.124260 145.3
[M+HCOO]- 296.125201 174.2
[M+CH3COO]- 310.140851 196.8
[M+Na-2H]- 272.101666 156.2
[M]+ 251.12645142 158.4
[M]- 251.12754858 158.4
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