CID 3080788

38608-07-0

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1OC2=C(O1)C=C(C(=C2)N)N

InChI

InChI=1S/C7H8N2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,8-9H2

InChIKey

SNHKEQOYVVRBQO-UHFFFAOYSA-N

Compound name

1,3-benzodioxole-5,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 47
References: 869
Patents: 152.05858 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.06586	127.7
[M+Na]+	175.04780	136.6
[M-H]-	151.05130	133.2
[M+NH4]+	170.09240	148.3
[M+K]+	191.02174	136.6
[M+H-H2O]+	135.05584	122.5
[M+HCOO]-	197.05678	151.4
[M+CH3COO]-	211.07243	142.3
[M+Na-2H]-	173.03325	135.7
[M]+	152.05803	126.5
[M]-	152.05913	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe