CID 71463624

6-nitro-[1,2,4]triazolo[4,3-a]pyridin-3-amine hydrobromide

Structural Information

Molecular Formula
C6H5N5O2
SMILES
C1=CC2=NN=C(N2C=C1[N+](=O)[O-])N
InChI
InChI=1S/C6H5N5O2/c7-6-9-8-5-2-1-4(11(12)13)3-10(5)6/h1-3H,(H2,7,9)
InChIKey
XDHRAEGNKOFBNS-UHFFFAOYSA-N
Compound name
6-nitro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.04433 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05161 129.2
[M+Na]+ 202.03355 139.6
[M-H]- 178.03705 130.9
[M+NH4]+ 197.07815 147.0
[M+K]+ 218.00749 133.0
[M+H-H2O]+ 162.04159 126.1
[M+HCOO]- 224.04253 154.5
[M+CH3COO]- 238.05818 175.3
[M+Na-2H]- 200.01900 140.7
[M]+ 179.04378 128.2
[M]- 179.04488 128.2
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.