CID 3859328

122502-94-7

Structural Information

Molecular Formula
C8H9N5O
SMILES
C1=CC=C2C(=C1)N=NN2CC(=O)NN
InChI
InChI=1S/C8H9N5O/c9-10-8(14)5-13-7-4-2-1-3-6(7)11-12-13/h1-4H,5,9H2,(H,10,14)
InChIKey
RIQGVMRDCPCXJJ-UHFFFAOYSA-N
Compound name
2-(benzotriazol-1-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

191.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 137.2
[M+Na]+ 214.06992 146.7
[M-H]- 190.07342 138.2
[M+NH4]+ 209.11452 154.8
[M+K]+ 230.04386 143.7
[M+H-H2O]+ 174.07796 128.8
[M+HCOO]- 236.07890 161.2
[M+CH3COO]- 250.09455 185.4
[M+Na-2H]- 212.05537 145.8
[M]+ 191.08015 137.3
[M]- 191.08125 137.3
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