CID 21572137

2,3-dihydro-1h-isoindol-1-ylmethanol hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C2=CC=CC=C2C(N1)CO
InChI
InChI=1S/C9H11NO/c11-6-9-8-4-2-1-3-7(8)5-10-9/h1-4,9-11H,5-6H2
InChIKey
WYIZHVASMVUIDK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-isoindol-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

149.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.4
[M+Na]+ 172.07328 142.0
[M+NH4]+ 167.11788 139.5
[M+K]+ 188.04722 137.4
[M-H]- 148.07678 131.5
[M+Na-2H]- 170.05873 135.5
[M]+ 149.08351 132.2
[M]- 149.08461 132.2
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