CID 14795865

Isoindolin-4-ol hydrochloride

Structural Information

Molecular Formula
C8H9NO
SMILES
C1C2=C(CN1)C(=CC=C2)O
InChI
InChI=1S/C8H9NO/c10-8-3-1-2-6-4-9-5-7(6)8/h1-3,9-10H,4-5H2
InChIKey
ZSRQKHWUGHTSHQ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-isoindol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

135.06842 Da
Monoisotopic Mass

0.5
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