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]+ 162.091336 132.0
[M+Na]+ 184.073278 140.6
[M-H]- 160.076784 136.4
[M+NH4]+ 179.117883 155.4
[M+K]+ 200.047218 137.5
[M+H-H2O]+ 144.081320 126.8
[M+HCOO]- 206.082261 156.3
[M+CH3COO]- 220.097911 179.6
[M+Na-2H]- 182.058726 137.4
[M]+ 161.08351142 130.1
[M]- 161.08460858 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.