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

18
Patents

211.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 143.1
[M+Na]+ 234.055918 151.0
[M-H]- 210.059424 144.7
[M+NH4]+ 229.100523 161.5
[M+K]+ 250.029858 146.9
[M+H-H2O]+ 194.063960 137.5
[M+HCOO]- 256.064901 155.7
[M+CH3COO]- 270.080551 180.3
[M+Na-2H]- 232.041366 148.8
[M]+ 211.06615142 141.7
[M]- 211.06724858 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