CID 89158

22026-39-7

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)NN
InChI
InChI=1S/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11)
InChIKey
RAXBGBHBUFGWPG-UHFFFAOYSA-N
Compound name
1,3-benzodioxole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

106
Patents

180.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 134.6
[M+Na]+ 203.04272 142.0
[M-H]- 179.04622 140.2
[M+NH4]+ 198.08732 153.8
[M+K]+ 219.01666 142.6
[M+H-H2O]+ 163.05076 128.9
[M+HCOO]- 225.05170 158.0
[M+CH3COO]- 239.06735 182.2
[M+Na-2H]- 201.02817 142.7
[M]+ 180.05295 134.4
[M]- 180.05405 134.4
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