CID 47002735

4-(cyclohexylsulfanyl)-2-methylaniline

Structural Information

Molecular Formula
C13H19NS
SMILES
CC1=C(C=CC(=C1)SC2CCCCC2)N
InChI
InChI=1S/C13H19NS/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11/h7-9,11H,2-6,14H2,1H3
InChIKey
OOGYGQCVDMVGCA-UHFFFAOYSA-N
Compound name
4-cyclohexylsulfanyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12383 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13111 149.0
[M+Na]+ 244.11305 161.1
[M+NH4]+ 239.15765 159.4
[M+K]+ 260.08699 151.3
[M-H]- 220.11655 155.0
[M+Na-2H]- 242.09850 156.5
[M]+ 221.12328 153.0
[M]- 221.12438 153.0
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.