CID 25200922

Cis-indole-2,3-dihydrodiol

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C2C(=C1)[C@H]([C@H](N2)O)O
InChI
InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7-11H/t7-,8-/m1/s1
InChIKey
MLCFNGQWWKZFBD-HTQZYQBOSA-N
Compound name
(2R,3R)-2,3-dihydro-1H-indole-2,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

43
Patents

151.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.1
[M+Na]+ 174.05254 137.8
[M-H]- 150.05604 128.7
[M+NH4]+ 169.09714 150.1
[M+K]+ 190.02648 134.0
[M+H-H2O]+ 134.06058 124.2
[M+HCOO]- 196.06152 147.8
[M+CH3COO]- 210.07717 167.3
[M+Na-2H]- 172.03799 134.8
[M]+ 151.06277 125.4
[M]- 151.06387 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