CID 66881

102-26-1

Structural Information

Molecular Formula
C9H21N3
SMILES
CCC1NC(NC(N1)CC)CC
InChI
InChI=1S/C9H21N3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-12H,4-6H2,1-3H3
InChIKey
BAPJNTSMYWUXMK-UHFFFAOYSA-N
Compound name
2,4,6-triethyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

171.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 146.6
[M+Na]+ 194.162768 151.7
[M-H]- 170.166274 141.1
[M+NH4]+ 189.207373 161.2
[M+K]+ 210.136708 147.4
[M+H-H2O]+ 154.170810 139.5
[M+HCOO]- 216.171751 158.3
[M+CH3COO]- 230.187401 175.2
[M+Na-2H]- 192.148216 148.6
[M]+ 171.17300142 138.9
[M]- 171.17409858 138.9
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