CID 2123

Altretamine

Structural Information

Molecular Formula
C9H18N6
SMILES
CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C
InChI
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
InChIKey
UUVWYPNAQBNQJQ-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

511
References

80135
Patents

210.1593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16658 147.5
[M+Na]+ 233.14852 158.2
[M+NH4]+ 228.19312 154.3
[M+K]+ 249.12246 154.1
[M-H]- 209.15202 150.0
[M+Na-2H]- 231.13397 154.2
[M]+ 210.15875 149.5
[M]- 210.15985 149.5
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