CID 3021054

85926-99-4

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2464
Patents

135.06842 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe