CID 10608432

3-(1,3-benzodioxol-5-yl)propanohydrazide

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)CCC(=O)NN
InChI
InChI=1S/C10H12N2O3/c11-12-10(13)4-2-7-1-3-8-9(5-7)15-6-14-8/h1,3,5H,2,4,6,11H2,(H,12,13)
InChIKey
XCDKQKNUUYBVBS-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 144.1
[M+Na]+ 231.07402 150.6
[M-H]- 207.07752 149.3
[M+NH4]+ 226.11862 162.2
[M+K]+ 247.04796 150.8
[M+H-H2O]+ 191.08206 138.0
[M+HCOO]- 253.08300 166.9
[M+CH3COO]- 267.09865 188.3
[M+Na-2H]- 229.05947 151.1
[M]+ 208.08425 144.5
[M]- 208.08535 144.5
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