CID 12179620

5,6-dimethyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C10H13N
SMILES
CC1=CC2=C(C=C1C)NCC2
InChI
InChI=1S/C10H13N/c1-7-5-9-3-4-11-10(9)6-8(7)2/h5-6,11H,3-4H2,1-2H3
InChIKey
ISDNDQYXHHLGQN-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

147.1048 Da
Monoisotopic Mass

2.7
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

patents stripe