CID 9855521

3-amino-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(C2=CC=CC=C2C1O)N
InChI
InChI=1S/C9H11NO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8-9,11H,5,10H2
InChIKey
PRVIGUZMXLBANS-UHFFFAOYSA-N
Compound name
3-amino-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

149.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.8
[M+Na]+ 172.073278 137.2
[M-H]- 148.076784 132.0
[M+NH4]+ 167.117883 152.1
[M+K]+ 188.047218 134.0
[M+H-H2O]+ 132.081320 124.0
[M+HCOO]- 194.082261 151.7
[M+CH3COO]- 208.097911 174.9
[M+Na-2H]- 170.058726 134.3
[M]+ 149.08351142 125.4
[M]- 149.08460858 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