CID 139034

1-amino-2-hydroxyindane

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(C(C2=CC=CC=C21)N)O
InChI
InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2
InChIKey
LOPKSXMQWBYUOI-UHFFFAOYSA-N
Compound name
1-amino-2,3-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

3826
Patents

149.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.8
[M+Na]+ 172.07328 137.2
[M-H]- 148.07678 132.0
[M+NH4]+ 167.11788 152.1
[M+K]+ 188.04722 134.0
[M+H-H2O]+ 132.08132 124.0
[M+HCOO]- 194.08226 151.7
[M+CH3COO]- 208.09791 174.9
[M+Na-2H]- 170.05873 134.3
[M]+ 149.08351 125.4
[M]- 149.08461 125.4
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