CID 3051127

1,5-indandiol, 2-amino-

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(C(C2=C1C=C(C=C2)O)O)N
InChI
InChI=1S/C9H11NO2/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8-9,11-12H,4,10H2
InChIKey
HCSLVUIHZMSYAG-UHFFFAOYSA-N
Compound name
2-amino-2,3-dihydro-1H-indene-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

-0.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.