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

268
Patents

133.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 126.5
[M+Na]+ 156.078358 134.9
[M-H]- 132.081864 128.4
[M+NH4]+ 151.122963 149.5
[M+K]+ 172.052298 131.6
[M+H-H2O]+ 116.086400 120.9
[M+HCOO]- 178.087341 147.6
[M+CH3COO]- 192.102991 140.3
[M+Na-2H]- 154.063806 133.2
[M]+ 133.08859142 123.5
[M]- 133.08968858 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