CID 54595426

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

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(CC2=C1C=CC=C2N)O
InChI
InChI=1S/C9H11NO/c10-9-3-1-2-6-4-7(11)5-8(6)9/h1-3,7,11H,4-5,10H2
InChIKey
VJZSRIHPRAZHIW-UHFFFAOYSA-N
Compound name
4-amino-2,3-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

149.08406 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe