CID 11970860

84712-74-3

Structural Information

Molecular Formula
C10H16N8
SMILES
CCNC1=NC(=NC(=N1)N=[N+]=[N-])NC2CCCC2
InChI
InChI=1S/C10H16N8/c1-2-12-8-14-9(13-7-5-3-4-6-7)16-10(15-8)17-18-11/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
ANSCQLLLQHFOLN-UHFFFAOYSA-N
Compound name
6-azido-2-N-cyclopentyl-4-N-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1498 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.157076 149.3
[M+Na]+ 271.139018 153.8
[M-H]- 247.142524 154.6
[M+NH4]+ 266.183623 163.4
[M+K]+ 287.112958 146.7
[M+H-H2O]+ 231.147060 142.7
[M+HCOO]- 293.148001 177.7
[M+CH3COO]- 307.163651 200.9
[M+Na-2H]- 269.124466 160.1
[M]+ 248.14925142 143.6
[M]- 248.15034858 143.6
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.