CID 524507

Indolin-6-ol

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CNC2=C1C=CC(=C2)O
InChI
InChI=1S/C8H9NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9-10H,3-4H2
InChIKey
JWLQULBRUJIEHY-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5983
Patents

135.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.6
[M+Na]+ 158.057638 133.9
[M-H]- 134.061144 126.2
[M+NH4]+ 153.102243 147.7
[M+K]+ 174.031578 130.4
[M+H-H2O]+ 118.065680 120.3
[M+HCOO]- 180.066621 145.7
[M+CH3COO]- 194.082271 139.0
[M+Na-2H]- 156.043086 132.4
[M]+ 135.06787142 121.9
[M]- 135.06896858 121.9
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