CID 94974

6294-79-7

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C=CCN1C(=O)NC(=O)N(C1=O)CC=C
InChI
InChI=1S/C9H11N3O3/c1-3-5-11-7(13)10-8(14)12(6-4-2)9(11)15/h3-4H,1-2,5-6H2,(H,10,13,14)
InChIKey
UCBVELLBUAKUNE-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2505
Patents

209.08005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 141.5
[M+Na]+ 232.06927 153.5
[M-H]- 208.07277 140.7
[M+NH4]+ 227.11387 156.3
[M+K]+ 248.04321 148.6
[M+H-H2O]+ 192.07731 134.2
[M+HCOO]- 254.07825 162.0
[M+CH3COO]- 268.09390 184.0
[M+Na-2H]- 230.05472 146.3
[M]+ 209.07950 143.4
[M]- 209.08060 143.4
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