CID 25374

1,3,5-tri(isopropyl)hexahydro-1,3,5-triazine

Structural Information

Molecular Formula
C12H27N3
SMILES
CC(C)N1CN(CN(C1)C(C)C)C(C)C
InChI
InChI=1S/C12H27N3/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-12H,7-9H2,1-6H3
InChIKey
FBXRCTMIDHCRDT-UHFFFAOYSA-N
Compound name
1,3,5-tri(propan-2-yl)-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

213.2205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.22778 156.1
[M+Na]+ 236.20972 160.5
[M-H]- 212.21322 154.6
[M+NH4]+ 231.25432 171.0
[M+K]+ 252.18366 159.6
[M+H-H2O]+ 196.21776 148.1
[M+HCOO]- 258.21870 168.3
[M+CH3COO]- 272.23435 194.6
[M+Na-2H]- 234.19517 154.7
[M]+ 213.21995 153.3
[M]- 213.22105 153.3
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