CID 264741

Nsc100042

Structural Information

Molecular Formula
C8H8ClN5O2
SMILES
CCOC(=O)NC1=CC2=NNN=C2C(=N1)Cl
InChI
InChI=1S/C8H8ClN5O2/c1-2-16-8(15)11-5-3-4-6(7(9)10-5)13-14-12-4/h3H,2H2,1H3,(H,10,11,15)(H,12,13,14)
InChIKey
ZAMAPBRBWNACKX-UHFFFAOYSA-N
Compound name
ethyl N-(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.03665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04393 147.8
[M+Na]+ 264.02587 159.1
[M-H]- 240.02937 146.6
[M+NH4]+ 259.07047 163.0
[M+K]+ 279.99981 154.5
[M+H-H2O]+ 224.03391 139.6
[M+HCOO]- 286.03485 163.9
[M+CH3COO]- 300.05050 187.9
[M+Na-2H]- 262.01132 154.9
[M]+ 241.03610 151.7
[M]- 241.03720 151.7
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

patents stripe