CID 62205751

2,3-dihydro-1h-isoindole-2-carboximidamide hydrochloride

Structural Information

Molecular Formula
C9H11N3
SMILES
C1C2=CC=CC=C2CN1C(=N)N
InChI
InChI=1S/C9H11N3/c10-9(11)12-5-7-3-1-2-4-8(7)6-12/h1-4H,5-6H2,(H3,10,11)
InChIKey
OWHAEVPMSNINKQ-UHFFFAOYSA-N
Compound name
1,3-dihydroisoindole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

161.09529 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 132.7
[M+Na]+ 184.08451 139.8
[M-H]- 160.08801 135.5
[M+NH4]+ 179.12911 154.2
[M+K]+ 200.05845 136.9
[M+H-H2O]+ 144.09255 126.2
[M+HCOO]- 206.09349 155.9
[M+CH3COO]- 220.10914 181.2
[M+Na-2H]- 182.06996 138.6
[M]+ 161.09474 127.8
[M]- 161.09584 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