CID 352454

26028-43-3

Structural Information

Molecular Formula
C12H21N3
SMILES
C=CCN1CN(CN(C1)CC=C)CC=C
InChI
InChI=1S/C12H21N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-6H,1-3,7-12H2
InChIKey
VFWCCHNDIALURC-UHFFFAOYSA-N
Compound name
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

214
Patents

207.17355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.18083 152.7
[M+Na]+ 230.16277 158.6
[M-H]- 206.16627 150.8
[M+NH4]+ 225.20737 167.7
[M+K]+ 246.13671 154.5
[M+H-H2O]+ 190.17081 144.3
[M+HCOO]- 252.17175 168.4
[M+CH3COO]- 266.18740 189.4
[M+Na-2H]- 228.14822 154.8
[M]+ 207.17300 149.6
[M]- 207.17410 149.6
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