CID 130055384

5-cyclopropyl-2,3-dihydro-1h-isoindole hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
C1CC1C2=CC3=C(CNC3)C=C2
InChI
InChI=1S/C11H13N/c1-2-8(1)9-3-4-10-6-12-7-11(10)5-9/h3-5,8,12H,1-2,6-7H2
InChIKey
WYRFRBDJCSFSMG-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.1048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 133.6
[M+Na]+ 182.094018 143.1
[M-H]- 158.097524 139.1
[M+NH4]+ 177.138623 150.4
[M+K]+ 198.067958 138.4
[M+H-H2O]+ 142.102060 127.0
[M+HCOO]- 204.103001 154.3
[M+CH3COO]- 218.118651 146.5
[M+Na-2H]- 180.079466 139.5
[M]+ 159.10425142 132.4
[M]- 159.10534858 132.4
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