CID 83068

1,3,5-triazine, hexahydro-1,3,5-tripropyl-

Structural Information

Molecular Formula
C12H27N3
SMILES
CCCN1CN(CN(C1)CCC)CCC
InChI
InChI=1S/C12H27N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-12H2,1-3H3
InChIKey
DPHBVWJGMBYPMK-UHFFFAOYSA-N
Compound name
1,3,5-tripropyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

213.2205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.22778 157.0
[M+Na]+ 236.20972 162.0
[M-H]- 212.21322 155.1
[M+NH4]+ 231.25432 172.1
[M+K]+ 252.18366 159.7
[M+H-H2O]+ 196.21776 148.4
[M+HCOO]- 258.21870 172.2
[M+CH3COO]- 272.23435 192.0
[M+Na-2H]- 234.19517 159.0
[M]+ 213.21995 156.0
[M]- 213.22105 156.0
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