CID 11138747

N-(p-toluenesulfonyl)-3-pyrroline

Structural Information

Molecular Formula
C11H13NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2
InChI
InChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3
InChIKey
UNYMIBRUQCUASP-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

223.0667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 148.2
[M+Na]+ 246.05592 157.4
[M-H]- 222.05942 154.3
[M+NH4]+ 241.10052 167.6
[M+K]+ 262.02986 154.1
[M+H-H2O]+ 206.06396 142.0
[M+HCOO]- 268.06490 166.0
[M+CH3COO]- 282.08055 183.6
[M+Na-2H]- 244.04137 151.1
[M]+ 223.06615 149.9
[M]- 223.06725 149.9
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

No patent data available for this compound.