CID 12905212

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

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CS(=O)(=O)C1=CC=CC2=C1CCCN2
InChI
InChI=1S/C10H13NO2S/c1-14(12,13)10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11H,3-4,7H2,1H3
InChIKey
VGZQOVHPVJSTCE-UHFFFAOYSA-N
Compound name
5-methylsulfonyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 143.8
[M+Na]+ 234.05592 155.5
[M+NH4]+ 229.10052 152.3
[M+K]+ 250.02986 147.8
[M-H]- 210.05942 144.7
[M+Na-2H]- 232.04137 148.8
[M]+ 211.06615 146.1
[M]- 211.06725 146.1
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