CID 3008681

6,6-dimethyl-1-undecoxy-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C16H33N5O
SMILES
CCCCCCCCCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C16H33N5O/c1-4-5-6-7-8-9-10-11-12-13-22-21-15(18)19-14(17)20-16(21,2)3/h4-13H2,1-3H3,(H4,17,18,19,20)
InChIKey
MWIIDQHNJXHRPR-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-undecoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.26852 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.27580 179.2
[M+Na]+ 334.25774 184.7
[M-H]- 310.26124 177.1
[M+NH4]+ 329.30234 191.6
[M+K]+ 350.23168 181.0
[M+H-H2O]+ 294.26578 170.4
[M+HCOO]- 356.26672 197.2
[M+CH3COO]- 370.28237 214.6
[M+Na-2H]- 332.24319 180.9
[M]+ 311.26797 181.3
[M]- 311.26907 181.3
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