CID 135512446

3-ethyl-3-(ethylaminoethyl)-1-hydroxy-2-oxo-1-triazene

Structural Information

Molecular Formula
C6H16N4O2
SMILES
CCNCCN(CC)/[N+](=N/O)/[O-]
InChI
InChI=1S/C6H16N4O2/c1-3-7-5-6-9(4-2)10(12)8-11/h7,11H,3-6H2,1-2H3/b10-8-
InChIKey
DPKCLDSTXVCYSN-NTMALXAHSA-N
Compound name
(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

216
Patents

176.12732 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13460 136.6
[M+Na]+ 199.11654 140.6
[M-H]- 175.12004 138.0
[M+NH4]+ 194.16114 155.7
[M+K]+ 215.09048 137.8
[M+H-H2O]+ 159.12458 134.7
[M+HCOO]- 221.12552 165.1
[M+CH3COO]- 235.14117 185.6
[M+Na-2H]- 197.10199 144.5
[M]+ 176.12677 135.4
[M]- 176.12787 135.4
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