CID 22162321

5,6-diamino-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1C2=CC(=C(C=C2NC1=O)N)N
InChI
InChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2,9-10H2,(H,11,12)
InChIKey
VVEJNQMYFCSJIN-UHFFFAOYSA-N
Compound name
5,6-diamino-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

163.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 131.3
[M+Na]+ 186.06377 140.5
[M-H]- 162.06727 133.1
[M+NH4]+ 181.10837 152.3
[M+K]+ 202.03771 136.5
[M+H-H2O]+ 146.07181 125.6
[M+HCOO]- 208.07275 153.9
[M+CH3COO]- 222.08840 179.5
[M+Na-2H]- 184.04922 136.1
[M]+ 163.07400 126.2
[M]- 163.07510 126.2
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