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 154.4
[M-H]- 220.11655 154.6
[M+NH4]+ 239.15765 167.4
[M+K]+ 260.08699 149.9
[M+H-H2O]+ 204.12109 142.2
[M+HCOO]- 266.12203 164.7
[M+CH3COO]- 280.13768 190.2
[M+Na-2H]- 242.09850 149.7
[M]+ 221.12328 144.9
[M]- 221.12438 144.9
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.