CID 583703

4-methyl-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C9H11N
SMILES
CC1=C2CCNC2=CC=C1
InChI
InChI=1S/C9H11N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-4,10H,5-6H2,1H3
InChIKey
BSRIUSPUGCAPHE-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

133.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 126.5
[M+Na]+ 156.07836 134.9
[M-H]- 132.08186 128.4
[M+NH4]+ 151.12296 149.5
[M+K]+ 172.05230 131.6
[M+H-H2O]+ 116.08640 120.9
[M+HCOO]- 178.08734 147.6
[M+CH3COO]- 192.10299 140.3
[M+Na-2H]- 154.06381 133.2
[M]+ 133.08859 123.5
[M]- 133.08969 123.5
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