CID 86775776

5-(aminomethyl)-2,3-dihydro-1h-inden-1-one hydrochloride

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC(=O)C2=C1C=C(C=C2)CN
InChI
InChI=1S/C10H11NO/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5H,2,4,6,11H2
InChIKey
NKZLQYZEZKVCSF-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.0
[M+Na]+ 184.07328 140.6
[M-H]- 160.07678 136.4
[M+NH4]+ 179.11788 155.4
[M+K]+ 200.04722 137.5
[M+H-H2O]+ 144.08132 126.8
[M+HCOO]- 206.08226 156.3
[M+CH3COO]- 220.09791 179.6
[M+Na-2H]- 182.05873 137.4
[M]+ 161.08351 130.1
[M]- 161.08461 130.1
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

No patent data available for this compound.