CID 23008728

4-methylisoindoline hydrochloride

Structural Information

Molecular Formula
C9H11N
SMILES
CC1=C2CNCC2=CC=C1
InChI
InChI=1S/C9H11N/c1-7-3-2-4-8-5-10-6-9(7)8/h2-4,10H,5-6H2,1H3
InChIKey
YHZHWSFPHDXYBS-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

133.08914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 126.7
[M+Na]+ 156.07836 139.4
[M+NH4]+ 151.12296 136.8
[M+K]+ 172.05230 134.0
[M-H]- 132.08186 128.9
[M+Na-2H]- 154.06381 132.9
[M]+ 133.08859 129.1
[M]- 133.08969 129.1
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