CID 4970670

2,3-dihydro-1h-indole-1-carboximidamide

Structural Information

Molecular Formula
C9H11N3
SMILES
C1CN(C2=CC=CC=C21)C(=N)N
InChI
InChI=1S/C9H11N3/c10-9(11)12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H3,10,11)
InChIKey
VBIWTALYKCUJQJ-UHFFFAOYSA-N
Compound name
2,3-dihydroindole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

161.09529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.7
[M+Na]+ 184.084508 139.8
[M-H]- 160.088014 135.5
[M+NH4]+ 179.129113 154.2
[M+K]+ 200.058448 136.9
[M+H-H2O]+ 144.092550 126.2
[M+HCOO]- 206.093491 155.9
[M+CH3COO]- 220.109141 181.2
[M+Na-2H]- 182.069956 138.6
[M]+ 161.09474142 127.8
[M]- 161.09583858 127.8
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