CID 501241

2-[(2,5-dimethylphenyl)methylsulfinyl]pyridine

Structural Information

Molecular Formula
C14H15NOS
SMILES
CC1=CC(=C(C=C1)C)CS(=O)C2=CC=CC=N2
InChI
InChI=1S/C14H15NOS/c1-11-6-7-12(2)13(9-11)10-17(16)14-5-3-4-8-15-14/h3-9H,10H2,1-2H3
InChIKey
BBDIFEUQRYAMLD-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethylphenyl)methylsulfinyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09471 152.8
[M+Na]+ 268.07665 161.6
[M-H]- 244.08015 158.7
[M+NH4]+ 263.12125 169.6
[M+K]+ 284.05059 157.0
[M+H-H2O]+ 228.08469 145.2
[M+HCOO]- 290.08563 170.2
[M+CH3COO]- 304.10128 192.8
[M+Na-2H]- 266.06210 155.3
[M]+ 245.08688 155.5
[M]- 245.08798 155.5
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