CID 30944

2,3-dimethylindoline

Structural Information

Molecular Formula
C10H13N
SMILES
CC1C(NC2=CC=CC=C12)C
InChI
InChI=1S/C10H13N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-8,11H,1-2H3
InChIKey
NNPSOAOENINXMR-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

223
Patents

147.1048 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe