CID 76110

2853-38-5

Structural Information

Molecular Formula
C11H16N6O2
SMILES
CCN(CC)CCN1C2=C(C=NC=C2N=N1)[N+](=O)[O-]
InChI
InChI=1S/C11H16N6O2/c1-3-15(4-2)5-6-16-11-9(13-14-16)7-12-8-10(11)17(18)19/h7-8H,3-6H2,1-2H3
InChIKey
XIKLXCHBZADKEE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(7-nitrotriazolo[4,5-c]pyridin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13348 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 154.8
[M+Na]+ 287.12270 167.3
[M+NH4]+ 282.16730 160.8
[M+K]+ 303.09664 166.5
[M-H]- 263.12620 156.3
[M+Na-2H]- 285.10815 160.2
[M]+ 264.13293 156.6
[M]- 264.13403 156.6
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.