CID 43436459

4-(tert-butylsulfanyl)-2-methylaniline

Structural Information

Molecular Formula
C11H17NS
SMILES
CC1=C(C=CC(=C1)SC(C)(C)C)N
InChI
InChI=1S/C11H17NS/c1-8-7-9(5-6-10(8)12)13-11(2,3)4/h5-7H,12H2,1-4H3
InChIKey
CSPFOQLVTBPZLH-UHFFFAOYSA-N
Compound name
4-tert-butylsulfanyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10817 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11545 143.3
[M+Na]+ 218.09739 151.5
[M-H]- 194.10089 147.0
[M+NH4]+ 213.14199 163.6
[M+K]+ 234.07133 148.0
[M+H-H2O]+ 178.10543 137.9
[M+HCOO]- 240.10637 160.6
[M+CH3COO]- 254.12202 187.3
[M+Na-2H]- 216.08284 145.7
[M]+ 195.10762 144.5
[M]- 195.10872 144.5
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

No patent data available for this compound.