CID 66881

2,4,6-triethyl-1,3,5-triazinane

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
1
Annotation Hits

0
References

4
Patents

171.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.18083 144.1
[M+Na]+ 194.16277 153.6
[M+NH4]+ 189.20737 150.5
[M+K]+ 210.13671 148.0
[M-H]- 170.16627 142.8
[M+Na-2H]- 192.14822 146.2
[M]+ 171.17300 144.6
[M]- 171.17410 144.6
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