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]+ 148.11208 130.9
[M+Na]+ 170.09402 139.9
[M-H]- 146.09752 133.1
[M+NH4]+ 165.13862 153.7
[M+K]+ 186.06796 136.3
[M+H-H2O]+ 130.10206 125.5
[M+HCOO]- 192.10300 151.7
[M+CH3COO]- 206.11865 144.7
[M+Na-2H]- 168.07947 136.4
[M]+ 147.10425 128.7
[M]- 147.10535 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.