CID 24690906

6-methanesulfonyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)NCCC2
InChI
InChI=1S/C10H13NO2S/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChIKey
FBCGZNQGQDPYAH-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 143.1
[M+Na]+ 234.05592 151.0
[M-H]- 210.05942 144.7
[M+NH4]+ 229.10052 161.5
[M+K]+ 250.02986 146.9
[M+H-H2O]+ 194.06396 137.5
[M+HCOO]- 256.06490 155.7
[M+CH3COO]- 270.08055 180.3
[M+Na-2H]- 232.04137 148.8
[M]+ 211.06615 141.7
[M]- 211.06725 141.7
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