CID 55300087

170697-57-1

Structural Information

Molecular Formula
C10H13N
SMILES
C[C@H]1C2=CC=CC=C2[C@@H](N1)C
InChI
InChI=1S/C10H13N/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-8,11H,1-2H3/t7-,8-/m0/s1
InChIKey
VNGGVSXGSNMCBG-YUMQZZPRSA-N
Compound name
(1S,3S)-1,3-dimethyl-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 130.9
[M+Na]+ 170.094018 139.9
[M-H]- 146.097524 133.1
[M+NH4]+ 165.138623 153.7
[M+K]+ 186.067958 136.3
[M+H-H2O]+ 130.102060 125.5
[M+HCOO]- 192.103001 151.7
[M+CH3COO]- 206.118651 144.7
[M+Na-2H]- 168.079466 136.4
[M]+ 147.10425142 128.7
[M]- 147.10534858 128.7
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

No patent data available for this compound.