CID 216088

37096-31-4

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(CC2=C1C=CC(=C2O)O)N
InChI
InChI=1S/C9H11NO2/c10-6-3-5-1-2-8(11)9(12)7(5)4-6/h1-2,6,11-12H,3-4,10H2
InChIKey
KRZUYDLXBYUQGK-UHFFFAOYSA-N
Compound name
2-amino-2,3-dihydro-1H-indene-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

165.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 132.1
[M+Na]+ 188.068198 140.9
[M-H]- 164.071704 134.3
[M+NH4]+ 183.112803 154.3
[M+K]+ 204.042138 137.4
[M+H-H2O]+ 148.076240 127.7
[M+HCOO]- 210.077181 153.7
[M+CH3COO]- 224.092831 175.8
[M+Na-2H]- 186.053646 136.6
[M]+ 165.07843142 128.8
[M]- 165.07952858 128.8
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