CID 14491714

1-methyl-2,3-dihydro-1h-isoindole hydrochloride

Structural Information

Molecular Formula
C9H11N
SMILES
CC1C2=CC=CC=C2CN1
InChI
InChI=1S/C9H11N/c1-7-9-5-3-2-4-8(9)6-10-7/h2-5,7,10H,6H2,1H3
InChIKey
UWMCJDIBDVFVFT-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

133.08914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 126.5
[M+Na]+ 156.07836 134.9
[M-H]- 132.08186 128.4
[M+NH4]+ 151.12296 149.5
[M+K]+ 172.05230 131.6
[M+H-H2O]+ 116.08640 120.9
[M+HCOO]- 178.08734 147.6
[M+CH3COO]- 192.10299 140.3
[M+Na-2H]- 154.06381 133.2
[M]+ 133.08859 123.5
[M]- 133.08969 123.5
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