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
8
Annotation Hits

512
References

93420
Patents

210.1593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.166576 149.7
[M+Na]+ 233.148518 157.1
[M-H]- 209.152024 154.1
[M+NH4]+ 228.193123 166.0
[M+K]+ 249.122458 158.6
[M+H-H2O]+ 193.156560 140.1
[M+HCOO]- 255.157501 174.9
[M+CH3COO]- 269.173151 207.1
[M+Na-2H]- 231.133966 155.7
[M]+ 210.15875142 153.6
[M]- 210.15984858 153.6
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