CID 3051128

67293-03-2

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(C(C2=C1C=CC(=C2)O)O)N
InChI
InChI=1S/C9H11NO2/c10-8-3-5-1-2-6(11)4-7(5)9(8)12/h1-2,4,8-9,11-12H,3,10H2
InChIKey
GRPOWBVKVOZQPW-UHFFFAOYSA-N
Compound name
2-amino-2,3-dihydro-1H-indene-1,6-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]+ 166.08626 132.1
[M+Na]+ 188.06820 140.9
[M-H]- 164.07170 134.3
[M+NH4]+ 183.11280 154.3
[M+K]+ 204.04214 137.4
[M+H-H2O]+ 148.07624 127.7
[M+HCOO]- 210.07718 153.7
[M+CH3COO]- 224.09283 175.8
[M+Na-2H]- 186.05365 136.6
[M]+ 165.07843 128.8
[M]- 165.07953 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.