CID 3087498

Brn 5535211

Structural Information

Molecular Formula
C9H18N6
SMILES
CCN(CC)CCNC1=NC=NC(=N1)N
InChI
InChI=1S/C9H18N6/c1-3-15(4-2)6-5-11-9-13-7-12-8(10)14-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKey
RCCVOUJDFJOJAV-UHFFFAOYSA-N
Compound name
2-N-[2-(diethylamino)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.166576 148.9
[M+Na]+ 233.148518 155.0
[M-H]- 209.152024 149.4
[M+NH4]+ 228.193123 163.4
[M+K]+ 249.122458 153.4
[M+H-H2O]+ 193.156560 139.4
[M+HCOO]- 255.157501 172.6
[M+CH3COO]- 269.173151 198.3
[M+Na-2H]- 231.133966 156.1
[M]+ 210.15875142 148.8
[M]- 210.15984858 148.8
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

No patent data available for this compound.