CID 583485

1,2-dimethylindoline

Structural Information

Molecular Formula
C10H13N
SMILES
CC1CC2=CC=CC=C2N1C
InChI
InChI=1S/C10H13N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-6,8H,7H2,1-2H3
InChIKey
ZDOWGOCJXFRDOM-UHFFFAOYSA-N
Compound name
1,2-dimethyl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

147.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 130.2
[M+Na]+ 170.094018 139.6
[M-H]- 146.097524 133.8
[M+NH4]+ 165.138623 153.7
[M+K]+ 186.067958 137.0
[M+H-H2O]+ 130.102060 124.5
[M+HCOO]- 192.103001 152.5
[M+CH3COO]- 206.118651 177.0
[M+Na-2H]- 168.079466 136.2
[M]+ 147.10425142 129.9
[M]- 147.10534858 129.9
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