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]+ 211.16658 148.9
[M+Na]+ 233.14852 155.0
[M-H]- 209.15202 149.4
[M+NH4]+ 228.19312 163.4
[M+K]+ 249.12246 153.4
[M+H-H2O]+ 193.15656 139.4
[M+HCOO]- 255.15750 172.6
[M+CH3COO]- 269.17315 198.3
[M+Na-2H]- 231.13397 156.1
[M]+ 210.15875 148.8
[M]- 210.15985 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.